<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337591</id>
  <title nil="true"/>
  <common-name>N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-octylamino]acetamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>59377</pubchem-id>
  <chemical-formula>C23H40ClN3O</chemical-formula>
  <weight>410</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">2026-08-30T20:28:39Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:28:39Z</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>CCCCCCCCN(CCN(CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C</moldb-smiles>
  <moldb-formula>C23H40ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C23H40ClN3O/c1-5-8-9-10-11-12-16-27(18-17-26(6-2)7-3)19-22(28)25-23-20(4)14-13-15-21(23)24/h13-15H,5-12,16-19H2,1-4H3,(H,25,28)</moldb-inchi>
  <moldb-inchikey>GHVHODVDZSAHOF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">409.2859906</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</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>CHEM333484</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>N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-octylamino]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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288029</sync-id>
  <structure-inchikey>GHVHODVDZSAHOF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000000000000000000000000000000000000100008000002000000000000000002000400000000000000000000000000000000000000000000400000010000000800000020000000000000000000000000000000000020010000000000000000004000000000000800000000020000000000000021000040000000800000000000010080000000020000000000000000000000000000000000000000000000080100010000000008000000000400200000000010000000000400000000000000000000040010000000002010000200000000000000008000000000000040000000050400000001000000040001000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>50000000091206008100010001282000000004000105200000b420400200080c4002085400800000000041080080000004600025808c30010000743002a04080c6110400028004100090108000720200000405805001113240400422000208000c200526004002000000000055142040200080500101c0047118000002310002104000180ee08208080202540a2c0008111c0812444014821000080000400080804310000010c00000000940057c27100ac000008b41084010000200084002100010028404400032018000240405028000000000420050000d0002000800030000104810128100000000000050122000005000308042000e0008008050000406</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`�������(�������(�������h�������@(������@(������@h�������@h�������@h�������@(������� ������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:39Z</structure-indexed-at>
</compound>
