2,4-Undecadiene-8,10-diynoic acid isobutylamide
PubChem CID: 15609884
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| Compound Synonyms | 2,4-Undecadiene-8,10-diynoic acid isobutylamide, (2E,4Z)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide, (2E,4Z)-N-Isobutyl-2,4-undecadiene-8,10-diynamide, SCHEMBL4912587, LMFA08020164, N-(2-Methylpropyl)-2,4-undecadiene-8,10-diynamide |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | Isolated from Achillea millefolium (yarrow). 2,4-Undecadiene-8,10-diynoic acid isobutylamide is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 3.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty amides |
| Molecular Formula | C15H19NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | PSAKYIJFKFCZFO-XAZJVICWSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.8 |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Logd | 0.874 |
| Synonyms | 2,4-Undecadiene-8,10-diynoic acid isobutylamide, N-(2-Methylpropyl)-2,4-undecadiene-8,10-diynamide, 2,4-Undecadiene-8,10-diynoate isobutylamide |
| Compound Name | 2,4-Undecadiene-8,10-diynoic acid isobutylamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 229.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 229.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.1149025999999997 |
| Inchi | InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,9-12,14H,7-8,13H2,2-3H3,(H,16,17)/b10-9-,12-11+ |
| Smiles | CC(C)CNC(=O)/C=C/C=C\CCC#CC#C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | N-acyl amines |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all