TL;DR: 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate (CAS 105678-15-7) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[[acetyl(cyclohexyl)amino]methyl]naphthalen-2-yl] acetate
Also Known As: 1-{[acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate, 1-[(N-Cyclohexylacetamido)methyl]naphthalen-2-yl acetate, [1-[[acetyl(cyclohexyl)amino]methyl]naphthalen-2-yl] acetate, Acetamide,N-[[2-(acetyloxy)-1-naphthalenyl]methyl]-N-cyclohexyl-
| Molecular Formula | C21H25NO3 |
| Molecular Weight | 339.18344 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.18344 Da |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
| SMILES | CC(=O)N(CC1=C(C=CC2=CC=CC=C21)OC(=O)C)C3CCCCC3 |
| InChIKey | CTKBGFGRPPGARZ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate is 105678-15-7.
The molecular formula of 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate is C21H25NO3.
The molecular weight of 1-{[Acetyl(cyclohexyl)amino]methyl}naphthalen-2-yl acetate is 339.18344 g/mol.
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