N-(pentan-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(pentan-3-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(pentan-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y030-5436 |
| Compound Name: | N-(pentan-3-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 235.28 |
| Molecular Formula: | C13 H17 N O3 |
| Smiles: | CCC(CC)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2987 |
| logD: | 3.2987 |
| logSw: | -3.4489 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.947 |
| InChI Key: | ABUVIPSQXPOCIB-UHFFFAOYSA-N |