<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319805</id>
  <title nil="true"/>
  <common-name>Ethyl 6-methyl-2-(2-morpholin-4-ylethoxy)-3-propan-2-ylbenzoate</common-name>
  <description>Ethyl 6-methyl-2-(2-morpholin-4-ylethoxy)-3-propan-2-ylbenzoate is a chemical compound with the formula C19H29NO4. It has an average molecular weight of 335.40 g/mol.</description>
  <cas>52073-28-6</cas>
  <pubchem-id>40217</pubchem-id>
  <chemical-formula>C19H29NO4</chemical-formula>
  <weight>335.4</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">2026-08-29T18:30:56Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:30:56Z</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>CCOC(=O)C1=C(C=CC(=C1OCCN2CCOCC2)C(C)C)C</moldb-smiles>
  <moldb-formula>C19H29NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C19H29NO4/c1-5-23-19(21)17-15(4)6-7-16(14(2)3)18(17)24-13-10-20-8-11-22-12-9-20/h6-7,14H,5,8-13H2,1-4H3</moldb-inchi>
  <moldb-inchikey>DUTKSCXDHLBQRC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">335.2096584</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM315698</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>Ethyl 6-methyl-2-(2-morpholin-4-ylethoxy)-3-propan-2-ylbenzoate</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>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270571</sync-id>
  <structure-inchikey>DUTKSCXDHLBQRC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4004000000000200000080000000004000005000000000000000000000040000000000100200000000040000000000000000000000000000000000000000000000100400000000000020020000000000002080000000010000000000000001000000000025000000000000000000000000000002010002000000000000000000000000004000000000000000000000400000000000000000000002000000000000000008000000000080000008010004000000004008000000a000000000000000000000000000000000000000000000000000100000002020000200000008010000000000800040000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������@(������@(������@h�������@h�������@(������@(�������(�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`�������`�������������� ��(��� ��h���h���h��	h�	
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	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:06Z</structure-indexed-at>
</compound>
