TL;DR: 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl- (CAS 101832-52-4) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetamide
Also Known As: 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl-, N-tert-Butyl-2-cyanobicyclohept-5,6-ene-3-propionamide, N-tert-Butyl-3-(cyanomethyl)norborn-5-ene-2-acetamide, N-tert-butyl-2-[2-(cyanomethyl)-3-bicyclo[2.2.1]hept-5-enyl]acetamide, N-tert-Butyl[3-(cyanomethyl)bicyclo[2.2.1]hept-5-en-2-yl]ethanimidic acid
| Molecular Formula | C15H22N2O |
| Molecular Weight | 246.17322 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.17322 Da |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
| SMILES | CC(C)(C)NC(=O)CC1C2CC(C1CC#N)C=C2 |
| InChIKey | DSDRJKHECCDQFJ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl-. With a topological polar surface area (TPSA) of 52.9 Ų, 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl- is 101832-52-4.
The molecular formula of 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl- is C15H22N2O.
The molecular weight of 5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl- is 246.17322 g/mol.
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