(2E)-N-(2-Methylbutyl)-2-undecene-8,10-diynamide
PubChem CID: 14259836
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| Compound Synonyms | (2E)-N-(2-Methylbutyl)-2-undecene-8,10-diynamide |
|---|---|
| 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 | CCCC))CNC=O)/C=C/CCCCC#CC#C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Carboximidic acids and derivatives |
| Classyfire Subclass | Carboximidic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H23NO |
| Inchi Key | GVXYCOGZGQWTFZ-OUKQBFOZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 2(e)n-(2-methylbutyl)-2-undecene-8,10-diynamide |
| Esol Class | Soluble |
| Functional Groups | C#CC#CC, C/C=C/C(=O)NC |
| Compound Name | (2E)-N-(2-Methylbutyl)-2-undecene-8,10-diynamide |
| Exact Mass | 245.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 245.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 245.36 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12+ |
| Smiles | CCC(C)CNC(=O)/C=C/CCCCC#CC#C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
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