TL;DR: 2H-1-Benzopyran-3-carboxamide, N-butyl- (CAS 83823-18-1) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-2H-chromene-3-carboxamide
Also Known As: N-butyl-2H-chromene-3-carboxamide, 2H-1-BENZOPYRAN-3-CARBOXAMIDE, N-BUTYL-, N-Butyl-2H-1-benzopyran-3-carboxamide, BRN 4442033
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.12593 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.12593 Da |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
| SMILES | CCCCNC(=O)C1=CC2=CC=CC=C2OC1 |
| InChIKey | XDLFBDPWFMTIOW-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carboxamide, N-butyl-. With a topological polar surface area (TPSA) of 38.3 Ų, 2H-1-Benzopyran-3-carboxamide, N-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxamide, N-butyl- 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-butyl- is 83823-18-1.
The molecular formula of 2H-1-Benzopyran-3-carboxamide, N-butyl- is C14H17NO2.
The molecular weight of 2H-1-Benzopyran-3-carboxamide, N-butyl- is 231.12593 g/mol.
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