HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 4-[(4-heptylbenzoyl)amino]benzoate
![Methyl 4-[(4-heptylbenzoyl)amino]benzoate molecular structure](/img/chemical/68409708.png)
Identifiers & Physical Properties
| Molecular formula | C22H27NO3 |
|---|---|
| Average molar mass | 353.5 g/mol |
| Monoisotopic mass | 353.19909372 g/mol |
| SMILES | CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 |
| InChIKey | NGSOMLBLTYZTIP-UHFFFAOYSA-N |
| PubChem CID | 68409708 |
Chemical & Physical Properties
| XLogP | 6.1 |
|---|---|
| Topological polar surface area | 55.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 10 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 421 |