(2Z,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
PubChem CID: 15609885
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL464984, SCHEMBL16566672 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H19NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | PSAKYIJFKFCZFO-PVHUKWJHSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.688 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.506 |
| Compound Name | (2Z,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide |
| 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 |
| 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 | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all