TL;DR: Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- (CAS 107598-69-6) is a chemical compound with molecular formula C14H22N2O and molecular weight 234.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-ethyl-4-propan-2-ylphenyl)-1,1-dimethylurea
Also Known As: Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl-, 3-(3-ethyl-4-propan-2-ylphenyl)-1,1-dimethylurea, 3-(3-ethyl-4-propan-2-yl-phenyl)-1,1-dimethyl-urea, N'-[3-Ethyl-4-(propan-2-yl)phenyl]-N,N-dimethylurea
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.17322 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.17322 Da |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
| SMILES | CCC1=C(C=CC(=C1)NC(=O)N(C)C)C(C)C |
| InChIKey | LDOZUNONEZUVKS-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- is 107598-69-6.
The molecular formula of Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- is C14H22N2O.
The molecular weight of Urea, N-(3-ethyl-4-(1-methylethyl)phenyl)-N,N-dimethyl- is 234.17322 g/mol.
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