TL;DR: 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide (CAS 1007886-56-7) is a chemical compound with molecular formula C21H24N4O4 and molecular weight 396.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
Also Known As: CBKinase1_011644, CBKinase1_024044, 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide, BRD-A14044217-001-01-6, 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
| Molecular Formula | C21H24N4O4 |
| Molecular Weight | 396.17975 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.17975 Da |
| Heavy Atoms | 29 |
| Complexity | 571.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=CC=C3 |
| InChIKey | PLOKNJMNHUQJJU-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide. Following Lipinski's Rule of Five, 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide is 1007886-56-7.
The molecular formula of 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide is C21H24N4O4.
The molecular weight of 2-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-oxo-N-phenylpiperazine-1-carboxamide is 396.17975 g/mol.
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