TL;DR: Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride (CAS 104816-27-5) is a chemical compound with molecular formula C17H28ClN3O2 and molecular weight 341.187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(butanoylamino)benzoyl]amino]ethyl-diethylazanium chloride
Also Known As: N-(2-(Diethylamino)ethyl)-4-((1-oxobutyl)amino)benzamide hydrochloride, BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-4-((1-OXOBUTYL)AMINO)-, MONOHYDROCHLORIDE, 2-[[4-(butanoylamino)benzoyl]amino]ethyl-diethylazanium chloride, 2-{[4-(butanoylamino)benzoyl]amino}-n,n-diethylethanaminiumchloride
| Molecular Formula | C17H28ClN3O2 |
| Molecular Weight | 341.187 g/mol |
| XLogP | -1.92 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.187 Da |
| Heavy Atoms | 23 |
| Complexity | 335.0 |
| SMILES | CCCC(=O)NC1=CC=C(C=C1)C(=O)NCC[NH+](CC)CC.[Cl-] |
| InChIKey | VKWZLTSIMVAZGL-UHFFFAOYSA-N |
The XLogP value of -1.92 indicates that Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride. Following Lipinski's Rule of Five, Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride has 3 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 Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride is 104816-27-5.
The molecular formula of Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride is C17H28ClN3O2.
The molecular weight of Benzamide, N-(2-(diethylamino)ethyl)-4-((1-oxobutyl)amino)-, monohydrochloride is 341.187 g/mol.
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