TL;DR: 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide (CAS 165391-55-9) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzoyl-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide
Also Known As: 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide, 4-Benzoyl-N-(3-methacrylamidopropyl)benzamide, N-(3-methacrylamidopropyl)-4-benzoylbenzamide, N-[3-[(4-benzoylphenyl)formamido]propyl]methacrylamide, 4-benzoyl-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide
| Molecular Formula | C21H22N2O3 |
| Molecular Weight | 350.16306 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.16306 Da |
| Heavy Atoms | 26 |
| Complexity | 515.0 |
| SMILES | CC(=C)C(=O)NCCCNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | KKGFAULLJCULTN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide. Following Lipinski's Rule of Five, 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide is 165391-55-9.
The molecular formula of 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide is C21H22N2O3.
The molecular weight of 4-Benzoyl-N-[3-(2-methyl-acryloylamino)-propyl]-benzamide is 350.16306 g/mol.
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