(2E,9Z,12Z,14E)-N-(2-methylpropyl)hexadeca-2,9,12,14-tetraenamide
PubChem CID: 44140283
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| Compound Synonyms | CHEMBL572337 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P37231 |
| Iupac Name | (2E,9Z,12Z,14E)-N-(2-methylpropyl)hexadeca-2,9,12,14-tetraenamide |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C20H33NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUOUAZDJHYHIRF-XJOGYUGASA-N |
| Fcsp3 | 0.55 |
| Logs | -3.479 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.681 |
| Compound Name | (2E,9Z,12Z,14E)-N-(2-methylpropyl)hexadeca-2,9,12,14-tetraenamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 303.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.256 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 303.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -5.0246379999999995 |
| Inchi | InChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h4-7,9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b5-4+,7-6-,10-9-,17-16+ |
| Smiles | C/C=C/C=C\C/C=C\CCCCC/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all