TL;DR: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CAS 1211829-50-3) is a chemical compound with molecular formula C19H28N4O5 and molecular weight 392.20596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate|EN300-26680410|Z16655867
| Molecular Formula | C19H28N4O5 |
| Molecular Weight | 392.20596 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.20596 Da |
| Heavy Atoms | 28 |
| Complexity | 700.0 |
| SMILES | CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)N(C)C2(CCCCC2)C#N)CC |
| InChIKey | DWPRPWZDHKGMOF-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is 1211829-50-3.
The molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is C19H28N4O5.
The molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is 392.20596 g/mol.
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