<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354394</id>
  <title nil="true"/>
  <common-name>N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide</common-name>
  <description>N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is a chemical compound with the formula C37H39N3O2. With an average molecular weight of 557.70 g/mol, N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is a heavy molecule.</description>
  <cas>82058-30-8</cas>
  <pubchem-id>54816</pubchem-id>
  <chemical-formula>C37H39N3O2</chemical-formula>
  <weight>557.7</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">2026-08-31T21:53:41Z</created-at>
  <updated-at type="dateTime">2026-08-31T21:53:41Z</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>CCCCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)(C2=O)C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6</moldb-smiles>
  <moldb-formula>C37H39N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C37H39N3O2/c1-3-4-25-38-36(42)40-32(27-19-11-6-12-20-27)30-31(26-17-9-5-10-18-26)39-33(28-21-13-7-14-22-28)37(2,35(30)41)34(40)29-23-15-8-16-24-29/h5-24,30-34,39H,3-4,25H2,1-2H3,(H,38,42)</moldb-inchi>
  <moldb-inchikey>CGOIRVHUWIPHDM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">557.3042275</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</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>CHEM350287</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-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-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>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass>Phenylpiperidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0304676</sync-id>
  <structure-inchikey>CGOIRVHUWIPHDM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80001000000000000000000000000c004020000000000000000002000020000000000100000004000000000000000000000000000000000000000000000000010100000000000020041000000000000040000000000028000030010000000000000000000001000000000100000000000000000000100000000048001000800000202000000880000800100100000000000000000021000000000000000000000000080000000000000000004000000000000800000002000000000200000000000000001001000000000000000000000200020000000000000000000000000048000400010400000000000001080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAqAAAALwAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:52:18Z</structure-indexed-at>
</compound>
