HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Benzamido-N-(1-(naphthalen-1-ylamino)-1-oxobutan-2-yl)benzamide
Benzamide, 2-(benzoylamino)-N-[1-[(1-naphthalenylamino)carbonyl]propyl]- · Benzamide, 2-(benzoylamino)-N-[1-[(1-naphthalenylamino)carbonyl]propyl]- (9CI)
Identifiers & Physical Properties
| CAS No. | 485753-18-2 |
|---|---|
| Molecular formula | C28H25N3O3 |
| Average molar mass | 451.5 g/mol |
| Monoisotopic mass | 451.18959167 g/mol |
| SMILES | CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12 |
| InChIKey | CVEGGHLMQLWISS-UHFFFAOYSA-N |
| PubChem CID | 4031908 |
| DTXSID | DTXSID40398650 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 87.3 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 705 |
| Boiling point | 666.6±40.0 °C(Predicted) |
| Density | 1.276±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.85±0.46(Predicted) |