TL;DR: N-benzyl-N'-(2,6-diisopropylphenyl)urea (CAS 151696-17-2) is a chemical compound with molecular formula C20H26N2O and molecular weight 310.2045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-[2,6-di(propan-2-yl)phenyl]urea
Also Known As: 1-Benzyl-3-(2,6-diisopropylphenyl)urea, N-benzyl-N'-(2,6-diisopropylphenyl)urea, 1-Benzyl-3-(2,6-diisopropyl-phenyl)-urea, 1-benzyl-3-[2,6-bis(propan-2-yl)phenyl]urea, 3-benzyl-1-(2,6-dipropan-2-ylphenyl)urea
| Molecular Formula | C20H26N2O |
| Molecular Weight | 310.2045 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.2045 Da |
| Heavy Atoms | 23 |
| Complexity | 345.0 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2=CC=CC=C2 |
| InChIKey | DAVKOKGWNAWKDO-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that N-benzyl-N'-(2,6-diisopropylphenyl)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-benzyl-N'-(2,6-diisopropylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N'-(2,6-diisopropylphenyl)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-benzyl-N'-(2,6-diisopropylphenyl)urea is 151696-17-2.
The molecular formula of N-benzyl-N'-(2,6-diisopropylphenyl)urea is C20H26N2O.
The molecular weight of N-benzyl-N'-(2,6-diisopropylphenyl)urea is 310.2045 g/mol.
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