<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352874</id>
  <title nil="true"/>
  <common-name>6-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-[3-hydroxy-4-(2,2,3,3,4,5,5,5-octafluoropentanoylamino)phenyl]hexanamide</common-name>
  <description>6-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-[3-hydroxy-4-(2,2,3,3,4,5,5,5-octafluoropentanoylamino)phenyl]hexanamide is a chemical compound with the formula C33H42F8N2O4. With an average molecular weight of 682.70 g/mol, 6-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-[3-hydroxy-4-(2,2,3,3,4,5,5,5-octafluoropentanoylamino)phenyl]hexanamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>138395097</pubchem-id>
  <chemical-formula>C33H42F8N2O4</chemical-formula>
  <weight>682.7</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T19:25:40Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:25:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC(C)(C)C1=CC(=C(C=C1)OCCCCCC(=O)NC2=CC(=C(C=C2)NC(=O)C(C(C(C(F)(F)F)F)(F)F)(F)F)O)C(C)(C)CC</moldb-smiles>
  <moldb-formula>C33H42F8N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C33H42F8N2O4/c1-7-29(3,4)20-13-16-25(22(18-20)30(5,6)8-2)47-17-11-9-10-12-26(45)42-21-14-15-23(24(44)19-21)43-28(46)32(37,38)31(35,36)27(34)33(39,40)41/h13-16,18-19,27,44H,7-12,17H2,1-6H3,(H,42,45)(H,43,46)</moldb-inchi>
  <moldb-inchikey>LKKFNVRPVRAJCV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">682.3016831</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM348767</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-[3-hydroxy-4-(2,2,3,3,4,5,5,5-octafluoropentanoylamino)phenyl]hexanamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylpropanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303158</sync-id>
  <structure-inchikey>LKKFNVRPVRAJCV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4004000000400000000080020000200000800000000000a1000000000000000000000000030000000000000000000000008000001000000000000000000000002000000008004040000800000002000000200000000041000000000000000000000010000100000000100000001000000480000000000000000200000000000400000020400000000000000000400100800000000000000000800000400010000000100000000000800000000a00000000400020000c0000000000000002000000000008000000202900020000000000400000000000020000000200000000000000008004000000800040000000010400800000000020000000000000000004</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������/���0���€���`�������`������� ������`�������`������@(������@h�������@(������@(������@h�������@h��������(�������`�������`�������`�������`�������`�������(�������(�������h�������@(������@h�������@(������@(������@h�������@h��������h��������(�������(������� ������ ������`������� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ������h�������� ������`�������`�������`�������`�����������������������h���h���h��	h�	
h��� ������������������(��� �� ��h���h���h���h���h��� �� ��(����������� � !� "� #��$��%��&amp;��'��(��) �*�*+�*,�*-�-.�
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	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:34Z</structure-indexed-at>
</compound>
