N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | Y030-5618 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide |
| Molecular Weight: | 235.28 |
| Molecular Formula: | C13 H17 N O3 |
| Smiles: | CC(C)CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3479 |
| logD: | 2.3479 |
| logSw: | -2.8569 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.825 |
| InChI Key: | NWXRYDNKTVYDSZ-UHFFFAOYSA-N |