1.02010-04-08 22:07:14 UTC2019-11-26 03:01:14 UTCFDB006647N-Isobutyloctadeca-trans-2-trans-4-dienamideN-isobutyloctadeca-trans-2-trans-4-dienamide is a member of the class of 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. Thus, N-isobutyloctadeca-trans-2-trans-4-dienamide is considered to be a fatty amide lipid molecule. N-isobutyloctadeca-trans-2-trans-4-dienamide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N-isobutyloctadeca-trans-2-trans-4-dienamide can be found in pepper (spice), which makes N-isobutyloctadeca-trans-2-trans-4-dienamide a potential biomarker for the consumption of this food product. C22H41NO335.576335.318814944(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienimidic acid(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienimidic acid[H]\C(CCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])C(O)=NCC(C)CInChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+QQCGKIZHTJLRNN-NBRVCOCJSA-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 aminesOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty amidesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSecondary carboxylic acid amidesAliphatic acyclic compoundCarbonyl groupCarboxamide groupCarboxylic acid derivativeHydrocarbon derivativeN-acyl-amineOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundSecondary carboxylic acid amidelogp8.61logs-6.73solubility6.20e-05 g/llogp7.62pka_strongest_acidic5.44pka_strongest_basic7.39iupac(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienimidic acidaverage_mass335.576mono_mass335.318814944smiles[H]\C(CCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])C(O)=NCC(C)CformulaC22H41NOinchiInChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+inchikeyQQCGKIZHTJLRNN-NBRVCOCJSA-Npolar_surface_area32.59refractivity109.48polarizability45.74rotatable_bond_count16acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsMs70827Specdb::MsMs70828Specdb::MsMs70829Specdb::MsMs129387Specdb::MsMs129388Specdb::MsMs129389Specdb::MsMs3603197Specdb::MsMs3603198Specdb::MsMs3603199Specdb::MsMs3603200Specdb::MsMs3603201Specdb::MsMs3603202Pepper (Spice)Type 1specificPiper nigrum13216cyclooxygenase inhibitor849A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.cyclooxygenase-1 inhibitor840A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.