TL;DR: Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester (CAS 63884-60-6) is a chemical compound with molecular formula C13H22N2O6 and molecular weight 302.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[2-(ethoxycarbonylcarbamoyl)-2-ethylbutanoyl]carbamate
Also Known As: MC 2659, Malonamide, N,N'-diethoxycarbonyl-2,2-diethyl-, (2,2-Diethylpropanedioyl)dicarbamic acid, diethyl ester, 0-03-00-00027 (Beilstein Handbook Reference), CARBAMIC ACID, (2,2-DIETHYLPROPANEDIOYL)DI-, DIETHYL ESTER
| Molecular Formula | C13H22N2O6 |
| Molecular Weight | 302.1478 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1478 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | CCC(CC)(C(=O)NC(=O)OCC)C(=O)NC(=O)OCC |
| InChIKey | GGRAYWKQKPBDHR-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester has 2 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 Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester is 63884-60-6.
The molecular formula of Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester is C13H22N2O6.
The molecular weight of Carbamic acid, (2,2-diethylpropanedioyl)di-, diethyl ester is 302.1478 g/mol.
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