TL;DR: 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)- (CAS 83823-10-3) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-phenylethyl)-2H-chromene-3-carboxamide
Also Known As: N-phenethyl-2H-chromene-3-carboxamide, N-(2-Phenylethyl)-2H-chromene-3-carboxamide, N-(2-Phenylethyl)-2H-1-benzopyran-3-carboxamide, 2H-1-BENZOPYRAN-3-CARBOXAMIDE, N-(2-PHENYLETHYL)-, BRN 4489689
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.12592 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12592 Da |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
| SMILES | C1C(=CC2=CC=CC=C2O1)C(=O)NCCC3=CC=CC=C3 |
| InChIKey | DFFJXEMYKJFSGW-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)- has 1 hydrogen bond donor(s) and 2 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-(2-phenylethyl)- is 83823-10-3.
The molecular formula of 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)- is C18H17NO2.
The molecular weight of 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)- is 279.12592 g/mol.
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