1.0 2010-04-08 22:05:42 UTC 2025-11-18 22:48:36 UTC FDB003202 N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide Constituent of Zanthoxylum subspecies N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide is found in herbs and spices. Hydroxy-g-isosanshool N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide C18H27NO2 289.4125 289.204179113 (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide 127514-62-9 C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)(C)O InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+ CRPPMKFSMRODIQ-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 Tertiary alcohols Alcohol 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 Tertiary alcohol logp 4.44 ALOGPS logs -4.48 ALOGPS solubility 9.63e-03 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_acidic 14.97 ChemAxon pka_strongest_basic 2.14 ChemAxon iupac (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide ChemAxon average_mass 289.4125 ChemAxon mono_mass 289.204179113 ChemAxon smiles C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)(C)O ChemAxon formula C18H27NO2 ChemAxon inchi InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+ ChemAxon inchikey CRPPMKFSMRODIQ-FMBIJHKPSA-N ChemAxon polar_surface_area 49.33 ChemAxon refractivity 95.51 ChemAxon polarizability 36.2 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81207 Specdb::MsMs 81208 Specdb::MsMs 81209 Specdb::MsMs 142260 Specdb::MsMs 142261 Specdb::MsMs 142262 Specdb::MsMs 2297461 Specdb::MsMs 2297462 Specdb::MsMs 2297463 Specdb::MsMs 2637985 Specdb::MsMs 2637986 Specdb::MsMs 2637987 Specdb::CMs 23755 Specdb::CMs 42383 Specdb::CMs 165537 HMDB0031183 Herbs and Spices Unknown generic