<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">314689</id>
  <title nil="true"/>
  <common-name>2-(azepan-1-yl)ethyl n-[3-(ethoxymethyl)phenyl]carbamate</common-name>
  <description>2-(azepan-1-yl)ethyl n-[3-(ethoxymethyl)phenyl]carbamate is a chemical compound with the formula C18H28N2O3. It has an average molecular weight of 320.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>54530</pubchem-id>
  <chemical-formula>C18H28N2O3</chemical-formula>
  <weight>320.4</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">2026-08-29T11:48:26Z</created-at>
  <updated-at type="dateTime">2026-08-29T11:48:26Z</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>CCOCC1=CC(=CC=C1)NC(=O)OCCN2CCCCCC2</moldb-smiles>
  <moldb-formula>C18H28N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H28N2O3/c1-2-22-15-16-8-7-9-17(14-16)19-18(21)23-13-12-20-10-5-3-4-6-11-20/h7-9,14H,2-6,10-13,15H2,1H3,(H,19,21)</moldb-inchi>
  <moldb-inchikey>CUIDFQCCKDVUDY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">320.2099928</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</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>CHEM310582</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>2-(azepan-1-yl)ethyl n-[3-(ethoxymethyl)phenyl]carbamate</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>CED0265571</sync-id>
  <structure-inchikey>CUIDFQCCKDVUDY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2004000000000000000180000000400000001000000000810000000000000000000000000200000000000000000000000010000000000000000000000080000000000400000000000000000000000000002000000000010100000000004000000000000001000000000000000010000800000002010000000000000000000000080100004020000080000000000000408000000000000000000002000000000000000000000200000000000008000000000200000000000000a00000000000000000000000000100000000000000000000000000000000000000022200000001000000800000000000004000000000040000000000000000008a000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>400000000912060000000100010820003000000000052000103020400200000c4002005000800001000041000080000004200025008c30010000643000a00000c6110400020000000080100000621000000401004001013240000422000209000c200404004002000000000055340000200080500101a0045118020002310002004400980ee0800808020240082c0008111c4816440014820004080000400000004310001010c00000000844017c25100ac00000884108401000000000400210001000840440000201800000000102800000000002004000090000000800030000000800000100000200000000022000001000308042000e0008008050000402</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`������@(������@h�������@(������@h�������@h�������@h��������h��������(�������(�������(�������`�������`������� ������`�������`�������`�������`�������`�������`��������������������h���h���h���h��	h��
 
� ��(�� ��������������������������	�h����B������	����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:21:05Z</structure-indexed-at>
</compound>
