<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348703</id>
  <title nil="true"/>
  <common-name>6-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]hexyl 3,4,5-trimethoxybenzoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3051155</pubchem-id>
  <chemical-formula>C28H41NO6</chemical-formula>
  <weight>487.6</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">2026-08-31T12:49:38Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:49:38Z</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>CCN(CCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC=C(C=C2)OC</moldb-smiles>
  <moldb-formula>C28H41NO6</moldb-formula>
  <moldb-inchi>InChI=1S/C28H41NO6/c1-7-29(21(2)18-22-12-14-24(31-3)15-13-22)16-10-8-9-11-17-35-28(30)23-19-25(32-4)27(34-6)26(20-23)33-5/h12-15,19-21H,7-11,16-18H2,1-6H3</moldb-inchi>
  <moldb-inchikey>JQOZIRGZNXDBBC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">487.293388</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM344596</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-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]hexyl 3,4,5-trimethoxybenzoate</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0299032</sync-id>
  <structure-inchikey>JQOZIRGZNXDBBC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000001800000000000000050000000000000000000000000400000003002000200200401000000000000000000000800000000000000000000000000000000000000240000000000000020000000000100000200000000000000040000010000010040004000104000000000000800000000000000000000000000000040000000000000000000010000000000000000000000000040000000000000000201000000000000084000000000000000000000000000000000200880000000200000810000000000000000048000000000000002000220000000000000000000000000000040000800010400000001000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������#���$���€���`�������`������� ������`�������`�������`�������`�������`�������`�������(�������(�������(������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������(�������`�������������������������������	�	
 
�(�
� �h��h���h���h���h��� ����� ����� �����������������h���h���h���h�� h��! !"���h� �h�B��������������� �����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:59Z</structure-indexed-at>
</compound>
