(2Z,4E)-N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
PubChem CID: 11160877
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL456783 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4E)-N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H21NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | FOAKNWSNLWCNHO-MRBUWEIXSA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.228 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.394 |
| Compound Name | (2Z,4E)-N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 243.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.162 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 243.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.5231700000000004 |
| Inchi | InChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12- |
| Smiles | CC#CC#CCC/C=C/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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Echinacea Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all