1.0 2010-04-08 22:05:42 UTC 2019-11-26 02:58:36 UTC FDB003203 N-Isobutyl-2,4,8,10,12-tetradecapentaenamide Constituent of Zanthoxylum piperitum (Japanese pepper tree) and other Zanthoxylum subspecies N-Isobutyl-2,4,8,10,12-tetradecapentaenamide is found in herbs and spices. g-Sanshool N-Isobutyl-2,4,8,10,12-tetradecapentaenamide C18H27NO 273.4131 273.209264491 (2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide (2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide 78886-65-4 C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+ KVUKDCFEXVWYBN-FMBIJHKPSA-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 5.30 ALOGPS logs -5.28 ALOGPS solubility 1.44e-03 g/l ALOGPS melting_point Mp 88-89° logp 4.58 ChemAxon pka_strongest_acidic 16.35 ChemAxon pka_strongest_basic 2.25 ChemAxon iupac (2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide ChemAxon average_mass 273.4131 ChemAxon mono_mass 273.209264491 ChemAxon smiles C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C ChemAxon formula C18H27NO ChemAxon inchi InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+ ChemAxon inchikey KVUKDCFEXVWYBN-FMBIJHKPSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 93.9 ChemAxon polarizability 35.49 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18230 Specdb::CMs 137941 Specdb::CMs 145675 Specdb::MsMs 74421 Specdb::MsMs 74422 Specdb::MsMs 74423 Specdb::MsMs 133806 Specdb::MsMs 133807 Specdb::MsMs 133808 Specdb::MsMs 2304102 Specdb::MsMs 2304103 Specdb::MsMs 2304104 Specdb::MsMs 2658208 Specdb::MsMs 2658209 Specdb::MsMs 2658210 HMDB31184 #<Reference:0x000055ce32449548> Herbs and Spices Unknown generic