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2,4-Dodecadienamide, N-(2-methylpropyl)-, (2E,4E)-

PubChem CID: 6443006

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Compound Synonyms 24738-51-0, 2,4-Dodecadienamide, N-(2-methylpropyl)-, (2E,4E)-, (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide, Kalecide, dodeca-2E,4E-dienoic acid isobutylamide, N-isobutyl-(2E,4E)-dodecadienamide, N-Isobutyldodeca-trans-2,4-dienamide, 5F4WO3BVS9, (2e,4e)-n-isobutyldodeca-2,4-dienamide, CHEMBL426912, CHEBI:70101, Dodecatetraenoic acid isobutylamide, (2E,4E)-, DODECA-2(E),4(E)-DIENOIC ACID ISOBUTYLAMIDE(P), N-Isobutyl-(2E,4E)-dodeca-2,4-dienamide, (2E,4E)-dodecatetraenoic acid isobutylamide, UNII-5F4WO3BVS9, C16H29NO, SCHEMBL2262688, BBRMJCAPNGJKEM-AQASXUMVSA-N, DTXSID801346924, 2,4-Dodecadienoic acid isobutylamide, BDBM50212599, 2,4-(E,E)-Dodecadienoylisobutylamide, AKOS040735216, (E,E)-N-Isobutyl-2,4-dodecadienamide, FD171294, N-Isobutyl-(2E,4E-dodeca-2,4-dienamide, Dodeca-2(E),4(E)-dienoic acid isobutlamide, 2,4-Dodecadienamide, N-isobutyl-, (E,E)-, Dodeca-2(E),4(E)-Dienoic Acid Isobutylamide, (2E,4E)-N-(2-Methylpropyl)-2,4-dodecadienamide, 2,4-Dodecadienamide, N-(2-methylpropyl)-, (E,E)-, Q27138440, (2E,4E)-N-(2-methylpropyl)-2,4-dodecadienamide, Kalecide
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.1
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class N-acyl amines
Deep Smiles CCCCCCC/C=C/C=C/C=O)NCCC)C
Heavy Atom Count 18.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty amides
Isotope Atom Count 0.0
Molecular Complexity 254.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P34972, P37231, P32300, P42866, P47936, P47746, P21554
Iupac Name (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Target Id NPT1287, NPT232
Xlogp 5.5
Gsk 4 400 Rule False
Molecular Formula C16H29NO
Prediction Swissadme 0.0
Inchi Key BBRMJCAPNGJKEM-AQASXUMVSA-N
Silicos It Class Moderately soluble
Fcsp3 0.6875
Logs -3.498
Rotatable Bond Count 10.0
Logd 4.399
Synonyms 2,4-dodecadienoic acid isobutylamide, n-isobutyldodeca-trans-2,4-dienamide
Esol Class Moderately soluble
Functional Groups C/C=C/C=C/C(=O)NC
Compound Name 2,4-Dodecadienamide, N-(2-methylpropyl)-, (2E,4E)-
Prediction Hob Swissadme 0.0
Exact Mass 251.225
Formal Charge 0.0
Monoisotopic Mass 251.225
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 251.41
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -4.417966799999999
Inchi InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
Smiles CCCCCCC/C=C/C=C/C(=O)NCC(C)C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Fatty amides