1.0 2010-04-08 22:05:17 UTC 2018-05-28 23:07:34 UTC FDB002236 2,4,8-Eicosatrienoic acid isobutylamide Alkaloid from Piper officinarum (Javanese long pepper). 2,4,8-Eicosatrienoic acid isobutylamide N-Isobutyl-2,4,8-eicosatrienamide C24H43NO 361.6043 361.334465003 (Z,2Z,4E,8Z)-N-(2-methylpropyl)icosa-2,4,8-trienimidic acid (Z,2Z,4E,8Z)-N-(2-methylpropyl)icosa-2,4,8-trienimidic acid 64543-30-2 CCCCCCCCCCC\C=C/CC\C=C\C=C/C(/O)=N/CC(C)C InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20- WBBCNGSATYECFE-LSJCJZQESA-N belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). Carboximidic acids Organic compounds Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids Aliphatic acyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Carboximidic acid Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound logp 8.79 ALOGPS logs -6.86 ALOGPS solubility 4.96e-05 g/l ALOGPS melting_point Mp 67-67.5° logp 8.79 ChemAxon pka_strongest_acidic 8.5 ChemAxon pka_strongest_basic 5.89 ChemAxon iupac (Z,2Z,4E,8Z)-N-(2-methylpropyl)icosa-2,4,8-trienimidic acid ChemAxon average_mass 361.6043 ChemAxon mono_mass 361.334465003 ChemAxon smiles CCCCCCCCCCC\C=C/CC\C=C\C=C/C(/O)=N/CC(C)C ChemAxon formula C24H43NO ChemAxon inchi InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20- ChemAxon inchikey WBBCNGSATYECFE-LSJCJZQESA-N ChemAxon polar_surface_area 32.59 ChemAxon refractivity 119.8 ChemAxon polarizability 47.87 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11369 Specdb::CMs 41895 Specdb::CMs 160958 Specdb::MsMs 53001 Specdb::MsMs 53002 Specdb::MsMs 53003 Specdb::MsMs 141246 Specdb::MsMs 141247 Specdb::MsMs 141248 Specdb::MsMs 2742013 Specdb::MsMs 2742014 Specdb::MsMs 2742015 Specdb::MsMs 2939465 Specdb::MsMs 2939466 Specdb::MsMs 2939467 HMDB30385 #<Reference:0x000055ce3210b228>