<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">332610</id>
  <title nil="true"/>
  <common-name>1-[3-(dimethylamino)propyl]-3,3-dimethyl-n-phenyl-2-benzofuran-1-carboxamide</common-name>
  <description>1-[3-(dimethylamino)propyl]-3,3-dimethyl-n-phenyl-2-benzofuran-1-carboxamide is a chemical compound with the formula C22H28N2O2. It has an average molecular weight of 352.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>211855</pubchem-id>
  <chemical-formula>C22H28N2O2</chemical-formula>
  <weight>352.5</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">2026-08-30T13:48:46Z</created-at>
  <updated-at type="dateTime">2026-08-30T13:48:46Z</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(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)NC3=CC=CC=C3)C</moldb-smiles>
  <moldb-formula>C22H28N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H28N2O2/c1-21(2)18-13-8-9-14-19(18)22(26-21,15-10-16-24(3)4)20(25)23-17-11-6-5-7-12-17/h5-9,11-14H,10,15-16H2,1-4H3,(H,23,25)</moldb-inchi>
  <moldb-inchikey>BTVKBAMRVNLJNW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">352.2150781</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM328503</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>1-[3-(dimethylamino)propyl]-3,3-dimethyl-n-phenyl-2-benzofuran-1-carboxamide</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>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0283119</sync-id>
  <structure-inchikey>BTVKBAMRVNLJNW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000100000000200000000000000000000200080000400000000004000000000000000000000000000000000000000000000000004000000000000028800000000401000000000000000000000010010000000000000000004020000000000000200000000000000000000000000048000400800000000000000080100000000100020000000000000420000000000000000000000000080000000000000000000800000000000000000002000000000000000040000000000000000000000000000020000201080000000000008000000000000040000000010400000001000000080000000000000000</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�����	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:34:52Z</structure-indexed-at>
</compound>
