TL;DR: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide (CAS 152677-07-1) is a chemical compound with molecular formula C20H25FN2O3 and molecular weight 360.1849 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide
Also Known As: AT-057/43468987, 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide, 3-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-N-(4-fluorophenyl)propanamide, 3-[(3,4-DIMETHOXYPHENETHYL)(METHYL)AMINO]-N~1~-(4-FLUOROPHENYL)PROPANAMIDE, 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(4-fluorophenyl)propanamide
| Molecular Formula | C20H25FN2O3 |
| Molecular Weight | 360.1849 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.1849 Da |
| Heavy Atoms | 26 |
| Complexity | 416.0 |
| SMILES | CN(CCC1=CC(=C(C=C1)OC)OC)CCC(=O)NC2=CC=C(C=C2)F |
| InChIKey | VNVJOFNEKLTAFX-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide 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 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide is 152677-07-1.
The molecular formula of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide is C20H25FN2O3.
The molecular weight of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-fluorophenyl)propanamide is 360.1849 g/mol.
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