N-cyclopentyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
N-cyclopentyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
N-cyclopentyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-2413 |
| Compound Name: | N-cyclopentyl-2-[ethyl(3-methylphenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C23 H27 N3 O5 |
| Smiles: | CCN(C(C(NC1CCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9104 |
| logD: | 4.9103 |
| logSw: | -4.6778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.663 |
| InChI Key: | IFMAUMSODBXPHE-JOCHJYFZSA-N |