TL;DR: Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- (CAS 145131-45-9) is a chemical compound with molecular formula C26H33N3O and molecular weight 403.26236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6-diethylphenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Also Known As: Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)-, N-(2,6-Diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)urea, N(sup 1)-(2,6-Diethylphenyl)-N(sup 2)-(1-(1-methyl-3-indolyl)cyclopentylmethyl)urea, 1-(2,6-diethylphenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea, N(SUP 1)-(2,6-DIETHYLPHENYL)-N(SUP 2)-(1-(1-METHYL-3-INDOLYL)CYCLOPENT YLMETHYL)UREA
| Molecular Formula | C26H33N3O |
| Molecular Weight | 403.26236 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.26236 Da |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C |
| InChIKey | HKJNDEBHJSGHSS-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.1 Ų, Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is 145131-45-9.
The molecular formula of Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is C26H33N3O.
The molecular weight of Urea, N-(2,6-diethylphenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is 403.26236 g/mol.
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