TL;DR: Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester (CAS 63986-51-6) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-morpholin-4-ylethyl N-(2-methyl-4-propoxyphenyl)carbamate
Also Known As: KL 3516, 2-Methyl-4-propoxycarbanilic acid 2-morpholinoethyl ester, CARBANILIC ACID, 2-METHYL-4-PROPOXY-, 2-MORPHOLINOETHYL ESTER, 2-morpholin-4-ylethyl N-(2-methyl-4-propoxyphenyl)carbamate, 2-(Morpholin-4-yl)ethyl (2-methyl-4-propoxyphenyl)carbamate
| Molecular Formula | C17H26N2O4 |
| Molecular Weight | 322.18927 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 60.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.18927 Da |
| Heavy Atoms | 23 |
| Complexity | 347.0 |
| SMILES | CCCOC1=CC(=C(C=C1)NC(=O)OCCN2CCOCC2)C |
| InChIKey | DQNDDDBRAOOTJR-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester. Following Lipinski's Rule of Five, Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester is 63986-51-6.
The molecular formula of Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester is C17H26N2O4.
The molecular weight of Carbanilic acid, 2-methyl-4-propoxy-, 2-morpholinoethyl ester is 322.18927 g/mol.
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