TL;DR: 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo- (CAS 18144-62-2) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-oxochromene-3-carboxamide
Also Known As: N,N-Diethyl-3-coumarincarboxamide, Coumarin-3-carboxylic acid diethylamide, N,N-Diethyl-2-oxo-2H-1-benzopyran-3-carboxamide, N,N-diethyl-2-oxochromene-3-carboxamide, 2H-1-BENZOPYRAN-3-CARBOXAMIDE, N,N-DIETHYL-2-OXO-
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.1052 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1052 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CCN(CC)C(=O)C1=CC2=CC=CC=C2OC1=O |
| InChIKey | DIHKPWRAFNUESX-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo-. With a topological polar surface area (TPSA) of 46.6 Ų, 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo- has 0 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 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo- is 18144-62-2.
The molecular formula of 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo- is C14H15NO3.
The molecular weight of 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo- is 245.1052 g/mol.
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