(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide
PubChem CID: 11615704
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| Compound Synonyms | SCHEMBL4911368, SCHEMBL4911381 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C16H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | RYVZYACBVYKUHD-OUKQBFOZSA-N |
| Fcsp3 | 0.5625 |
| Logs | -5.458 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.987 |
| Compound Name | (E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 245.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 245.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 245.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7468691999999995 |
| Inchi | InChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18)/b13-12+ |
| Smiles | CC#CC#CCCCC/C=C/C(=O)NCC(C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients