(2E,9Z)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
PubChem CID: 14259842
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,9Z)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C20H29NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSWADFLHCRYURF-WXYFSRDHSA-N |
| Fcsp3 | 0.55 |
| Logs | -3.971 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.349 |
| Compound Name | (2E,9Z)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 299.225 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 299.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.8166396 |
| Inchi | InChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b10-9-,17-16+ |
| Smiles | CC#CC#CC/C=C\CCCCC/C=C/C(=O)NCC(C)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