TL;DR: Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo- (CAS 131147-93-8) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-oxobutanoic acid
Also Known As: Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo-, 4-((2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid, N-[(2,6-dimethylphenylcarbamoyl)methyl]-succinamic acid, 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-oxobutanoic acid, 4-{[2-(2,6-Dimethylanilino)-2-oxoethyl]amino}-4-oxobutanoic acid
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.12665 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.12665 Da |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)CCC(=O)O |
| InChIKey | ZHXJTQUJLICXAK-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo-. Following Lipinski's Rule of Five, Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo- 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 Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo- is 131147-93-8.
The molecular formula of Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo- is C14H18N2O4.
The molecular weight of Butanoic acid, 4-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)amino)-4-oxo- is 278.12665 g/mol.
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