<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319576</id>
  <title nil="true"/>
  <common-name>3-[(4as,7as)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-n-(2,6-dimethylphenyl)propanamide</common-name>
  <description>3-[(4as,7as)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-n-(2,6-dimethylphenyl)propanamide is a chemical compound with the formula C19H28N2O. It has an average molecular weight of 300.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3038429</pubchem-id>
  <chemical-formula>C19H28N2O</chemical-formula>
  <weight>300.4</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">2026-08-29T18:14:48Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:14:48Z</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>CC1=C(C(=CC=C1)C)NC(=O)CCN2CCCC3C2CCC3</moldb-smiles>
  <moldb-formula>C19H28N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C19H28N2O/c1-14-6-3-7-15(2)19(14)20-18(22)11-13-21-12-5-9-16-8-4-10-17(16)21/h3,6-7,16-17H,4-5,8-13H2,1-2H3,(H,20,22)/t16-,17-/m0/s1</moldb-inchi>
  <moldb-inchikey>YPCQSMVZCKBHFR-IRXDYDNUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">300.2201635</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM315469</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>3-[(4as,7as)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-n-(2,6-dimethylphenyl)propanamide</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>CED0270346</sync-id>
  <structure-inchikey>YPCQSMVZCKBHFR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000008000000000000000000000000000000000000000000000000800000000000000000000000004000000000000000200000000000000000000000000000000004000000000000000200000000000000000000000000000000000000100000000000000000000000000000201000000000000040000001008010000410008008000200000000040800000000000000000000000000000000000000400040000000000000a0100000000000000000000008400000000000000000008000000000000000000000000000000400000202010000200000000000000009000000000000040000000000400000000000000200001000002000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000000912864080000940010820000000140001052000003520408200080c4422005010800000000041080080000004200025c08c32010222743000a04080c6110c00029004004090118010660200000405805101133240000422000248000c2804271048020020000400d5140000200680500501c0047118226002710002004000184ef0820808060244882c0008191c0c12444014820000088000c00085005310000010c80002000940057c25100ac00000894108401880421808c002100010008404400013018002041441028004008000020050200d0002040801030010104810020100000040840151122000101000308042002e0008008050000406</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@h�������@h�������@h��������`�������h��������(�������(�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�����������h���h���h���h���h������ �	 	
(�	��������������������������������h������B���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:24:52Z</structure-indexed-at>
</compound>
