TL;DR: N-Methoxy-N-methyl-N'-phenylurea (CAS 1576-17-6) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-1-methyl-3-phenylurea
Also Known As: 1-Methoxy-1-methyl-3-phenylurea, METHOXYFENURON, N-Methoxy-N-methyl-N'-phenylurea, Urea, N-methoxy-N-methyl-N'-phenyl-, 3-methoxy-3-methyl-1-phenylurea
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | CN(C(=O)NC1=CC=CC=C1)OC |
| InChIKey | NNEWRFHYQPTQKR-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methoxy-N-methyl-N'-phenylurea. With a topological polar surface area (TPSA) of 41.6 Ų, N-Methoxy-N-methyl-N'-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methoxy-N-methyl-N'-phenylurea has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Methoxy-N-methyl-N'-phenylurea is 1576-17-6.
The molecular formula of N-Methoxy-N-methyl-N'-phenylurea is C9H12N2O2.
The molecular weight of N-Methoxy-N-methyl-N'-phenylurea is 180.08987 g/mol.
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