314596 <common-name>[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-propanoyloxyphenyl] propanoate</common-name> <description>[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-propanoyloxyphenyl] propanoate is a chemical compound with the formula C18H27NO5. It has an average molecular weight of 337.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3040464</pubchem-id> <chemical-formula>C18H27NO5</chemical-formula> <weight>337.4</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">2026-08-29T11:41:47Z</created-at> <updated-at type="dateTime">2026-08-29T11:41:47Z</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>CCC(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)CC</moldb-smiles> <moldb-formula>C18H27NO5</moldb-formula> <moldb-inchi>InChI=1S/C18H27NO5/c1-6-16(21)23-13-8-12(15(20)11-19-18(3,4)5)9-14(10-13)24-17(22)7-2/h8-10,15,19-20H,6-7,11H2,1-5H3</moldb-inchi> <moldb-inchikey>MQYRDZBXGQXLSR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">337.188923</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM310489</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-[2-(tert-butylamino)-1-hydroxyethyl]-5-propanoyloxyphenyl] propanoate</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>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0265483</sync-id> <structure-inchikey>MQYRDZBXGQXLSR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000008000000804000002000000000000000000000000000100000000004000002000000200000000000000000880000000000000000000000001000000000000000000000000012000000800020000000000500000000000000000000000000010000000010000000100000200000000002000000000000000004000100000040000000000000000000000080000000000000000000000000000000000000000000000000002400082000000000000000000000000000000000000000000000002000000000000000000000000000000000000040000000000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>5000002001320e0088000100010820000000040805052000003020408220084c44020050018000000000410800800000042000a4208c30010000643100a04000c6110400028006000090106000620300000405805021193240000422400009000c28042e0048820040000000d5b40001208280500105e0041118000002110002504400080ef0820808020240882c0008111c0812444014820004080000408080004310001010c00000000840017c25100ac00000894108401000021008400212a00000a404800002018002002441028004000000020050000d0000000801030090004810000100000000000301922084001000308042002e0000010052000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQYAYAAAAAMBBgBgAAAA AgIHAGAAAAACAQYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBgBgAAAAAQMIAGAA AAABAQgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAQML AAEAAQIAAgMoAgIEIAQFIAUGaAwGB2gMBwhoDAgJaAwJCmgMCQsACwwADA0A DQ4ADg8ADhAADhEACxIABxMgExQgFBUoAhQWABYXAAoFaAxCAQAAAAYFCgkI BwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:00Z</structure-indexed-at> </compound>