TL;DR: N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide (CAS 1005123-01-2) is a chemical compound with molecular formula C17H23NO and molecular weight 257.17798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylbenzamide
Also Known As: N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide, N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-methylbenzamide, N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylbenzamide, N-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-3-methylbenzamide, N-(bicyclo[2.2.1]hept-2-ylethyl)(3-methylphenyl)carboxamide
| Molecular Formula | C17H23NO |
| Molecular Weight | 257.17798 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.17798 Da |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C)C2CC3CCC2C3 |
| InChIKey | UQOHXOZETQDWMQ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide is 1005123-01-2.
The molecular formula of N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide is C17H23NO.
The molecular weight of N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-methylbenzamide is 257.17798 g/mol.
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