<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293375</id>
  <title nil="true"/>
  <common-name>N-(2-chloro-6-methylphenyl)-2-(ethylamino)pentanamide</common-name>
  <description>N-(2-chloro-6-methylphenyl)-2-(ethylamino)pentanamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C14H21ClN2O and an average molecular weight of 268.78 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>24847644</pubchem-id>
  <chemical-formula>C14H21ClN2O</chemical-formula>
  <weight>268.78</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">2026-08-28T08:43:43Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:43:43Z</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>CCCC(C(=O)NC1=C(C=CC=C1Cl)C)NCC</moldb-smiles>
  <moldb-formula>C14H21ClN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21ClN2O/c1-4-7-12(16-5-2)14(18)17-13-10(3)8-6-9-11(13)15/h6,8-9,12,16H,4-5,7H2,1-3H3,(H,17,18)</moldb-inchi>
  <moldb-inchikey>UXXCWZAAKYFVLU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">268.134241</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM289268</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-(2-chloro-6-methylphenyl)-2-(ethylamino)pentanamide</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244894</sync-id>
  <structure-inchikey>UXXCWZAAKYFVLU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800004000000000000001000000000000000000000000000000002000000000000000002000400000000000000000000000000000000000000000000400400000000000000000020000000000000000000009000000000020020010000000000000001002000000000000000000000020000000000000001000040000000800000000000000080000000000000000000000000000000000000000000000000000000080100010000000000000000000400000000000000002000000000000000008000000000000010000000002200000200000000000000008080000000000040000000040400000000000000000001000000000000</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�B��������
	�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:19Z</structure-indexed-at>
</compound>
