TL;DR: Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate (CAS 112343-34-7) is a chemical compound with molecular formula C14H26N2O4 and molecular weight 286.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
Also Known As: methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate, 1-(Methoxycarbonylamino)-3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexane, methyl N-(3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate, [3,5,5-Trimethyl-3-[(methoxycarbonylamino)methyl]cyclohexyl]carbamic acid methyl ester, 1,3,3-Trimethyl-1-(methoxycarbonylaminomethyl)-5-(methoxycarbonylamino)cyclohexane
| Molecular Formula | C14H26N2O4 |
| Molecular Weight | 286.18927 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.18927 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | CC1(CC(CC(C1)(C)CNC(=O)OC)NC(=O)OC)C |
| InChIKey | BAMOLHXSXMKLAA-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate. Following Lipinski's Rule of Five, Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)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 Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate is 112343-34-7.
The molecular formula of Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate is C14H26N2O4.
The molecular weight of Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate is 286.18927 g/mol.
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