1.0 2010-04-08 22:08:13 UTC 2018-05-28 23:19:16 UTC FDB008733 2,4,12-Octadecatrienoic acid isobutylamide Alkaloid from Piper retrofractum (Javanese long pepper). 2,4,12-Octadecatrienoic acid isobutylamide N-Isobutyl-2,4,12-octadecatrienamide C22H39NO 333.5512 333.303164875 (2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide (2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide 151391-69-4 CCCCC\C=C/CCCCCC\C=C\C=C\C(=O)NCC(C)C InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8-,17-16+,19-18+ PCWWIOUZYOPZHT-VBUSEHTESA-N belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. N-acyl amines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp 7.37 ALOGPS logs -6.88 ALOGPS solubility 4.39e-05 g/l ALOGPS logp 7.08 ChemAxon pka_strongest_acidic 16.35 ChemAxon pka_strongest_basic 2.25 ChemAxon iupac (2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide ChemAxon average_mass 333.5512 ChemAxon mono_mass 333.303164875 ChemAxon smiles CCCCC\C=C/CCCCCC\C=C\C=C\C(=O)NCC(C)C ChemAxon formula C22H39NO ChemAxon inchi InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8-,17-16+,19-18+ ChemAxon inchikey PCWWIOUZYOPZHT-VBUSEHTESA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 110.08 ChemAxon polarizability 44.88 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18189 Specdb::CMs 150739 Specdb::MsMs 43626 Specdb::MsMs 43627 Specdb::MsMs 43628 Specdb::MsMs 132615 Specdb::MsMs 132616 Specdb::MsMs 132617 Specdb::MsMs 2837250 Specdb::MsMs 2837251 Specdb::MsMs 2837252 Specdb::MsMs 2868363 Specdb::MsMs 2868364 Specdb::MsMs 2868365 HMDB32033 #<Reference:0x000055ce32a16db8>