<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">313301</id>
  <title nil="true"/>
  <common-name>[3-(dimethylamino)-1-phenylpropyl] n-phenylcarbamate</common-name>
  <description>[3-(dimethylamino)-1-phenylpropyl] n-phenylcarbamate is a chemical compound with the formula C18H22N2O2. It has an average molecular weight of 298.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>52623</pubchem-id>
  <chemical-formula>C18H22N2O2</chemical-formula>
  <weight>298.4</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">2026-08-29T10:03:10Z</created-at>
  <updated-at type="dateTime">2026-08-29T10:03:10Z</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>CN(C)CCC(C1=CC=CC=C1)OC(=O)NC2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C18H22N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H22N2O2/c1-20(2)14-13-17(15-9-5-3-6-10-15)22-18(21)19-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,19,21)</moldb-inchi>
  <moldb-inchikey>OTCYTPWTNYFZGL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">298.1681279</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>CHEM309194</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-(dimethylamino)-1-phenylpropyl] n-phenylcarbamate</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>Phenylcarbamic acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0264214</sync-id>
  <structure-inchikey>OTCYTPWTNYFZGL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000004008000000000000000000000000009000000000000000000000000000000000000000000000000040000100000000000000000000000000000400000000000000000000000000000280000000005010000000010000000000000000100000000000000000041000000000000000000000000000000800000000000400004008000000000000000a0100000000100000000000000000000000000000000000000000400080000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000202400000000000008000000000000040000000000400000001000000000008000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>401000000912064080000900010820003000040000052000103100400200000c4002005000800001000041000080000004200025608c30010020643000a04000c6110c00020004000090100000620000000401804001013240000422000249000c200406004002000000040054340000200080500101e0045118020002710002404400980ce0800808020240082c0008111c4816440014820004080000400080004310001010c00000000844017d25100ac00001884108401000020000c00210001000840440000201800000250102800000000002004000090000000800020000000810000100000200000040022004001000308042000e0008018052000402</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@h���������������������������h���h��	h�	
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:20:03Z</structure-indexed-at>
</compound>
