314878 <common-name>(2,6-dimethylphenyl) 2-(dibutylamino)acetate</common-name> <description>(2,6-dimethylphenyl) 2-(dibutylamino)acetate is a chemical compound with the formula C18H29NO2. It has an average molecular weight of 291.40 g/mol.</description> <cas nil="true"/> <pubchem-id>16205</pubchem-id> <chemical-formula>C18H29NO2</chemical-formula> <weight>291.4</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">2026-08-29T12:04:27Z</created-at> <updated-at type="dateTime">2026-08-29T12:04:27Z</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>CCCCN(CCCC)CC(=O)OC1=C(C=CC=C1C)C</moldb-smiles> <moldb-formula>C18H29NO2</moldb-formula> <moldb-inchi>InChI=1S/C18H29NO2/c1-5-7-12-19(13-8-6-2)14-17(20)21-18-15(3)10-9-11-16(18)4/h9-11H,5-8,12-14H2,1-4H3</moldb-inchi> <moldb-inchikey>ZXQPWWQAPYMMDS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">291.2198292</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM310771</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>(2,6-dimethylphenyl) 2-(dibutylamino)acetate</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">2</paper-count> <sync-id>CED0056473</sync-id> <structure-inchikey>ZXQPWWQAPYMMDS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000004000000000000000100000000002000000000400080000000000000000000000004000000000000000000000000000000000010000000000000020000000000100000000000000000000000020010000000000000000004000000000100000000000000000000000000021000040000000800000000000000000000000020000000000000000000000000000000000000000000000082100000000000000000000080000000000000000000004000400000000000000000000000000000000002040000200000000000000000000000000000040000000010400000001000000000001000000000000</structure-fingerprint> <structure-pattern-fingerprint>4000000001220e0080000100010820000000040000052000003420400200000c40020050008000000000410800800000042100a5008c30010000643000a04000c6110400020006000090102010620100000401805000013240000622000009000c200406004082000000000054340001200080500105e0041118000002110002004400080ce0800808020200882c0008111c0012444014820004080000408080004300001010c00000000848017c25100ac000008841084010000200084002100010000404400012018000000401028000000000020040000d0002000800010000100a1000010000000000020002200000102010804200060000000050400002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������`�������`�������`�������`�������`�������(�������(�������(������@(������@(������@h�������@h�������@h�������@(�������`�������`������������������������������� � � �(� � � �h���h���h���h���h�������� h�B����� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:13Z</structure-indexed-at> </compound>