<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335834</id>
  <title nil="true"/>
  <common-name>N-[4-(8-methyl-7-propanoyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]propanamide</common-name>
  <description>N-[4-(8-methyl-7-propanoyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]propanamide is a chemical compound with the formula C23H25N3O4. It has an average molecular weight of 407.50 g/mol.</description>
  <cas>143691-63-8</cas>
  <pubchem-id>3072683</pubchem-id>
  <chemical-formula>C23H25N3O4</chemical-formula>
  <weight>407.5</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">2026-08-30T18:05:14Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:05:14Z</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>CCC(=O)NC1=CC=C(C=C1)C2=NN(C(CC3=CC4=C(C=C32)OCO4)C)C(=O)CC</moldb-smiles>
  <moldb-formula>C23H25N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C23H25N3O4/c1-4-21(27)24-17-8-6-15(7-9-17)23-18-12-20-19(29-13-30-20)11-16(18)10-14(3)26(25-23)22(28)5-2/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,27)</moldb-inchi>
  <moldb-inchikey>KXSOVXOKIJTMIP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">407.1845063</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>CHEM331727</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-[4-(8-methyl-7-propanoyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]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>Organoheterocyclic compounds</superklass>
  <klass>Benzodiazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286300</sync-id>
  <structure-inchikey>KXSOVXOKIJTMIP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000880000000000000000000008000010000000001000000050000000200000080000000a040002000000000000000400000000000000000000000000000000000000000000000000020800000000000000008022000000000000000010000000010000000100000a40000820100000000000000000040100000000040000400000000000008040080800000000000000000080008000000000000040000000004000000080000000000000000000000000000000000000000000000100000000000000000000000000100000000000000000200000000000880008000000000010040000000400400400000400000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIQAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:27Z</structure-indexed-at>
</compound>
