Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)-
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Basic information
- CAS
145131-23-3- Standard SMILES
CCC(CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1cn(C)c2ccccc12- InChIKey
AYIQHRJVMJNQAZ-UHFFFAOYSA-N- Molecular formula
- C26H35N3O
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.27801275
Names & identifiers
- Preferred name
- Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)-
- IUPAC
- 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)butyl]urea
- English name
- 3-(2,6-dipropan-2-ylphenyl)-1-[2-(1-methylindol-3-yl)butyl]urea
- Molecular formula
- C26H35N3O
- Molecular weight
- 405.58
Names & synonyms
145131-23-3N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)ureaN(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(2-(1-methyl-3-indolyl)butyl)ureaUrea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)-RefChem:3878441-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)butyl]ureaDTXSID10932505N-[2,6-Di(propan-2-yl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)butyl]carbamimidic acid3-(2,6-dipropan-2-ylphenyl)-1-[2-(1-methylindol-3-yl)butyl]ureaUrea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)butyl]-
Database identifiers
- CAS
145131-23-3- PubChem CID
- 3072897
- DTXSID
DTXSID10932505- Nikkaji
- J759.405D
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 531.6 · 531.6±50.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 13.77 · 13.77±0.46(Predicted)
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Compound notes
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