HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Butoxy-3-methylbenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
4-(4-butoxy-3-methylbenzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one · 4-(4-BUTOXY-3-METHYLBENZOYL)-5-(4-TERT-BUTYLPHENYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE · 2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
![4-(4-Butoxy-3-methylbenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one molecular structure](/img/chemical/5942657.png)
Identifiers & Physical Properties
| CAS No. | 488795-16-0 |
|---|---|
| Molecular formula | C33H44N2O5 |
| Average molar mass | 548.7 g/mol |
| Monoisotopic mass | 548.32502251 g/mol |
| SMILES | CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(C(C)(C)C)cc2)cc1C |
| InChIKey | PWWOIDQTPBRTJY-SJCQXOIGSA-N |
| PubChem CID | 5942657 |
| EC No. | 134-662-8 |
Chemical & Physical Properties
| XLogP | 6.2 |
|---|---|
| Topological polar surface area | 79.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 11 |
| Heavy atoms | 40 |
| Formal charge | 0 |
| Complexity | 882 |
| Boiling point | 717.6±60.0 °C(Predicted) |
| Density | 1.145±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.50±1.00(Predicted) |