(2E,8E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,8,10-trienamide
PubChem CID: 21627815
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| Topological Polar Surface Area | 47.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,8E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,8,10-trienamide |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C22H29NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGIPIHKQNLOKES-ZNOFIXJLSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -4.279 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.173 |
| Compound Name | (2E,8E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,8,10-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 355.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.215 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 355.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.391432830769231 |
| Inchi | InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h5,7,9-15,18H,3-4,6,8,16-17H2,1-2H3,(H,23,24)/b7-5+,11-9+,12-10+ |
| Smiles | CC(C)CNC(=O)/C=C/CCCC/C=C/C=C/C1=CC2=C(C=C1)OCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Coignetiae (Plant) Rel Props:Source_db:cmaup_ingredients