TL;DR: Acetanilide, 2-(diethylamino)-4'-nitro- (CAS 74816-21-0) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)-N-(4-nitrophenyl)acetamide
Also Known As: 2-(Diethylamino)-4'-nitroacetanilide, 2-(diethylamino)-N-(4-nitrophenyl)acetamide, ACETANILIDE, 2-(DIETHYLAMINO)-4'-NITRO-, Acetamide, 2-(diethylamino)-N-(4-nitrophenyl)-, N~2~,N~2~-diethyl-N~1~-(4-nitrophenyl)glycinamide
| Molecular Formula | C12H17N3O3 |
| Molecular Weight | 251.127 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | CCN(CC)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OKDWEXMXXCTNSG-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-(diethylamino)-4'-nitro-. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 2-(diethylamino)-4'-nitro-. Following Lipinski's Rule of Five, Acetanilide, 2-(diethylamino)-4'-nitro- has 1 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 Acetanilide, 2-(diethylamino)-4'-nitro- is 74816-21-0.
The molecular formula of Acetanilide, 2-(diethylamino)-4'-nitro- is C12H17N3O3.
The molecular weight of Acetanilide, 2-(diethylamino)-4'-nitro- is 251.127 g/mol.
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