TL;DR: Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate (CAS 1094603-68-5) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: BIM-0021620.P001, AH-487/13096042, Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate, N-[(benzyloxy)carbonyl]-N-(2-furylmethyl)phenylalaninamide, benzyl N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
| Molecular Formula | C22H22N2O4 |
| Molecular Weight | 378.15796 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.15796 Da |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CO2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | LYPDMHBEILGYGT-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate. Following Lipinski's Rule of Five, Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate is 1094603-68-5.
The molecular formula of Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate is C22H22N2O4.
The molecular weight of Phenylmethyl N-[2-[(2-furanylmethyl)amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate is 378.15796 g/mol.
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