4-acetamido-N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide
Chemical Structure Depiction of
4-acetamido-N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide
4-acetamido-N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide
Compound characteristics
| Compound ID: | C094-2159 |
| Compound Name: | 4-acetamido-N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C30 H33 N3 O6 |
| Smiles: | CCOCCCNC(C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)NC(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3528 |
| logD: | 3.3526 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.043 |
| InChI Key: | VRJYMHVVPCHKQT-MUUNZHRXSA-N |