(E,E)-2,4-Decadienoic isobutylamide
PubChem CID: 11368078
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| Compound Synonyms | (E,E)-2,4-Decadienoic isobutylamide, (2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide, Pellitorine (6CI), (2E,4Z)-N-Isobutyl-2,4-decadienamide, SCHEMBL258216, CHEBI:177860, MAGQQZHFHJDIRE-QNRZBPGKSA-N, LMFA08020162, N-Isobutyl-(E,E)-2,4-Decadienamide, 2E,4Z-decadienoic acid-N-isobutylamide, (2E,4E)-N-isobutyl-2,4-decadienamide, (2E,4Z)-N-Isobutyldeca-2,4-dienamide, N-Isobutyldeca-trans-2-trans-4-dienamide, N-(2-Methylpropyl)-(E,E)-2,4-Decadienamide, N-(2-Methylpropyl)-(2E,4E)-2,4-Decadienamide, 639086-18-3 |
|---|---|
| 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 | CCCCC/C=CC=CC=O)NCCC)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of Achillea millefolium (yarrow). (2E,4E)-Decadienoic isobutylamide is found in tarragon, herbs and spices, and pepper (spice). |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide |
| Class | Carboximidic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboximidic acids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H25NO |
| Inchi Key | MAGQQZHFHJDIRE-QNRZBPGKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | (2E,4E)-N-isobutyl-2,4-decadienamide, (E,E)-N-(2-Methylpropyl)-2,4-decadienamide, (E,E)-N-Isobutyl-2,4-decadienamide, 2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-, 2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-, 2,4-Decadienamide, N-isobutyl-, (E,E)-, N-(2-Methylpropyl)-(2e,4e)-2,4-decadienamide, N-(2-Methylpropyl)-(e,e)-2,4-decadienamide, N-(2-Methylpropyl)-2,4-Decadienamide, N-Isobutyl-(e,e)-2,4-decadienamide, N-Isobutyldeca-trans-2-trans-4-dienamide, N-Isobutyldeca-trans-2,trans-4-dienamide, Pellitorin, Pellitorine, Pellitorine (6ci), trans-Pellitorin, (2E,4E)-N-Isobutyl-2,4-decadienamide, (e,e)-N-(2-Methylpropyl)-2,4-decadienamide, (e,e)-N-Isobutyl-2,4-decadienamide, N-(2-Methylpropyl)-(2E,4E)-2,4-decadienamide, N-(2-Methylpropyl)-2,4-decadienamide, (2e,4e)-n-isobutyl-2,4-decadienamide |
| Substituent Name | Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Carboximidic acid, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C/C=CC=CC(=O)NC |
| Compound Name | (E,E)-2,4-Decadienoic isobutylamide |
| Kingdom | Organic compounds |
| Exact Mass | 223.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 223.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 223.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8-,11-10+ |
| Smiles | CCCCC/C=C\C=C\C(=O)NCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | N-acyl amines |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all