1.0 2016-09-30 23:15:20 UTC 2020-04-22 15:15:20 UTC BMDB0005085 BMDB05085 Leukotriene B4 dimethylamide LTB4 Dimethyl amide LTB4-Dimethylamide N,N-Dimethyl-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide [S-[R*,s*-(e,Z,e,Z)]]-5,12-dihydroxy-N,N-dimethyl-6,8,10,14-eicosatetraenamide LTB4dMA Leukotriene b4 dimethylamide C22H37NO3 363.5341 363.277344055 (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide LTB4-dimethylamide 83024-92-4 CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)N(C)C InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1 BBJRTSLPWQUASB-UKODYPNASA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides N-acyl amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Tertiary carboxylic acid amides 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 alcohol Tertiary carboxylic acid amide Aliphatic acyclic compounds Leukotrienes Solid logp 3.493 logp 4.84 ALOGPS logs -4.47 ALOGPS logp 3.77 ChemAxon pka_strongest_acidic 17.72 ChemAxon pka_strongest_basic -0.18 ChemAxon iupac (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide ChemAxon average_mass 363.5341 ChemAxon mono_mass 363.277344055 ChemAxon smiles CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)N(C)C ChemAxon formula C22H37NO3 ChemAxon inchi InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1 ChemAxon inchikey BBJRTSLPWQUASB-UKODYPNASA-N ChemAxon polar_surface_area 60.77 ChemAxon refractivity 114.6 ChemAxon polarizability 43.72 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 15267 Specdb::CMs 38858 Specdb::CMs 168210 Specdb::MsMs 299857 Specdb::MsMs 299858 Specdb::MsMs 299859 Specdb::MsMs 341992 Specdb::MsMs 341993 Specdb::MsMs 341994 Specdb::MsMs 2840346 Specdb::MsMs 2840347 Specdb::MsMs 2840348 Specdb::MsMs 2864748 Specdb::MsMs 2864749 Specdb::MsMs 2864750 4446250 FDB023624 5283126