TL;DR: 2H-1-Benzopyran-3-carboxamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-8-methoxy- (CAS 83823-31-8) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-2H-chromene-3-carboxamide
Also Known As: 2H-1-BENZOPYRAN-3-CARBOXAMIDE, N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-8-METHOXY-, N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-2H-chromene-3-carboxamide, N-(2-(3,4-Dimethoxyphenyl)ethyl)-8-methoxy-2H-1-benzopyran-3-carboxamide, N-[2-(3,4-Dimethoxyphenyl)ethyl]-8-methoxy-2H-1-benzopyran-3-carboxamide, BRN 4569643
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.15762 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.15762 Da |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2)OC |
| InChIKey | RNYDUTJFQRNXFF-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2H-1-Benzopyran-3-carboxamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-8-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-3-carboxamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-8-methoxy-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-8-methoxy- has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)ethyl)-8-methoxy- is 83823-31-8.
The molecular formula of 2H-1-Benzopyran-3-carboxamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-8-methoxy- is C21H23NO5.
The molecular weight of 2H-1-Benzopyran-3-carboxamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-8-methoxy- is 369.15762 g/mol.
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