TL;DR: N-(4-methylbenzyl)-N'-(4-methylphenyl)urea (CAS 122459-33-0) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)-3-[(4-methylphenyl)methyl]urea
Also Known As: N-(4-methylbenzyl)-N'-(4-methylphenyl)urea, 1-(4-methylbenzyl)-3-(4-methylphenyl)urea, 1-(4-methylphenyl)-3-[(4-methylphenyl)methyl]urea, N-(4-methylphenyl){[(4-methylphenyl)methyl]amino}carboxamide
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.1419 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.1419 Da |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C |
| InChIKey | QFBJINKDUNYXER-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that N-(4-methylbenzyl)-N'-(4-methylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, N-(4-methylbenzyl)-N'-(4-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylbenzyl)-N'-(4-methylphenyl)urea has 2 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 N-(4-methylbenzyl)-N'-(4-methylphenyl)urea is 122459-33-0.
The molecular formula of N-(4-methylbenzyl)-N'-(4-methylphenyl)urea is C16H18N2O.
The molecular weight of N-(4-methylbenzyl)-N'-(4-methylphenyl)urea is 254.1419 g/mol.
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