(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide
PubChem CID: 14259840
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| Compound Synonyms | SCHEMBL4913925 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C19H27NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABSLRBKEGBEWJT-ZHEVCFECSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -3.645 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.926 |
| Compound Name | (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.209 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 285.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.4083722 |
| Inchi | InChI=1S/C19H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20-17-18(2)3/h1,8-9,15-16,18H,7,10-14,17H2,2-3H3,(H,20,21)/b9-8-,16-15+ |
| Smiles | CC(C)CNC(=O)/C=C/CCCCC/C=C\CC#CC#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients