(2E,4E,10E)-11-(4-methoxyphenyl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
PubChem CID: 17754953
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,10E)-11-(4-methoxyphenyl)-N-(2-methylpropyl)undeca-2,4,10-trienamide |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C22H31NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAWYRTFTWHDMDC-JPSRSCNUSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -1.985 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.675 |
| Compound Name | (2E,4E,10E)-11-(4-methoxyphenyl)-N-(2-methylpropyl)undeca-2,4,10-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 341.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.235 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 341.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.346369 |
| Inchi | InChI=1S/C22H31NO2/c1-19(2)18-23-22(24)13-11-9-7-5-4-6-8-10-12-20-14-16-21(25-3)17-15-20/h7,9-17,19H,4-6,8,18H2,1-3H3,(H,23,24)/b9-7+,12-10+,13-11+ |
| Smiles | CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC=C(C=C1)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asplenium Adiantum-Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Distemonanthus Benthamianus (Plant) Rel Props:Source_db:cmaup_ingredients