N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbutanamide
Compound characteristics
| Compound ID: | Y031-6855 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbutanamide |
| Molecular Weight: | 235.28 |
| Molecular Formula: | C13 H17 N O3 |
| Smiles: | CCC(C)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.21 |
| logD: | 2.21 |
| logSw: | -2.7335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.039 |
| InChI Key: | AWXFSVXURCACKL-VIFPVBQESA-N |