<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">327980</id>
  <title nil="true"/>
  <common-name>2-(diethylamino)-n-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide</common-name>
  <description>2-(diethylamino)-n-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is a chemical compound with the formula C21H26N2O. It has an average molecular weight of 322.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3055379</pubchem-id>
  <chemical-formula>C21H26N2O</chemical-formula>
  <weight>322.4</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">2026-08-30T07:35:10Z</created-at>
  <updated-at type="dateTime">2026-08-30T07:35:10Z</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(CC)CC(=O)NC1C2=CC=CC=C2CCC3=CC=CC=C13</moldb-smiles>
  <moldb-formula>C21H26N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C21H26N2O/c1-3-23(4-2)15-20(24)22-21-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)21/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,24)</moldb-inchi>
  <moldb-inchikey>MJYPHACLQDNDBB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">322.2045135</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM323873</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>2-(diethylamino)-n-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide</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>Dibenzocycloheptenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0278580</sync-id>
  <structure-inchikey>MJYPHACLQDNDBB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000000000000000400000000000000000000100000010002000000000000000000100010000000000000000000000000000000000000000000000000000000000000000020000000000000000000080000000000000000010000000000000000004000000000020800000000000000000000101000000040000000800000000000000080000000020100000000080000000000000000000000000000000000080000000000000004000000000000200000000000000000000000000000000000000000400000000008000000200200000000040000000000000000000040000000020400000000400000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������(�������(�������h��������`������@(������@h�������@h�������@h�������@h�������@(�������`�������`������@(������@h�������@h�������@h�������@h�������@(��������������������������(��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:31:08Z</structure-indexed-at>
</compound>
