TL;DR: N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea (CAS 145131-18-6) is a chemical compound with molecular formula C27H37N3O and molecular weight 419.29367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-2-(1-methylindol-3-yl)butyl]urea
Also Known As: N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea, N(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(3-methyl-2-(1-methyl-3-indolyl)butyl)urea, Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)-, 1-[2,6-bis(propan-2-yl)phenyl]-3-[3-methyl-2-(1-methyl-1H-indol-3-yl)butyl]urea, 1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-2-(1-methylindol-3-yl)butyl]urea
| Molecular Formula | C27H37N3O |
| Molecular Weight | 419.29367 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.29367 Da |
| Heavy Atoms | 31 |
| Complexity | 559.0 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CN(C3=CC=CC=C32)C)C(C)C |
| InChIKey | JIXKOEWCARUIAZ-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.1 Ų, N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea is 145131-18-6.
The molecular formula of N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea is C27H37N3O.
The molecular weight of N-(2,6-Bis(1-methylethyl)phenyl)-N'-(3-methyl-2-(1-methyl-1H-indol-3-yl)butyl)urea is 419.29367 g/mol.
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