Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1H-indol-1-yl)cyclopentyl)methyl)-
Basic information
- CAS
145131-11-9- Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(n2ccc3ccccc32)CCCC1- InChIKey
WPVMHRFUKNCPJR-UHFFFAOYSA-N- Molecular formula
- C27H35N3O
- Average molar mass
- 417.6 g/mol
- Monoisotopic mass
- 417.27801275
Names & identifiers
- Preferred name
- Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1H-indol-1-yl)cyclopentyl)methyl)-
- IUPAC
- 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-indol-1-ylcyclopentyl)methyl]urea
- English name
- N(sup 1)-(1-(1-Indolyl)cyclopentylmethyl)-N(sup 2)-(2,6-diisopropylphe nyl)urea
- Molecular formula
- C27H35N3O
- Molecular weight
- 417.59
Names & synonyms
145131-11-9Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1H-indol-1-yl)cyclopentyl)methyl)-N(sup 1)-(1-(1-Indolyl)cyclopentylmethyl)-N(sup 2)-(2,6-diisopropylphenyl)ureaN-(2,6-Bis(1-methylethyl)phenyl)-N'-((1-(1H-indol-1-yl)cyclopentyl)methyl)ureaDTXSID10162885RefChem:387836DTXCID50853761-[2,6-di(propan-2-yl)phenyl]-3-[(1-indol-1-ylcyclopentyl)methyl]ureaN(SUP 1)-(1-(1-INDOLYL)CYCLOPENTYLMETHYL)-N(SUP 2)-(2,6-DIISOPROPYLPHE NYL)UREAN-[2,6-Di(propan-2-yl)phenyl]-N'-{[1-(1H-indol-1-yl)cyclopentyl]methyl}ureaUrea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1H-indol-1-yl)cyclopentyl]methyl]-
Database identifiers
- CAS
145131-11-9- PubChem CID
- 3072885
- DTXSID
DTXSID10162885- Nikkaji
- J759.426G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- Boiling point
- 546.875 · 546.875±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.122 · 1.122±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.913 · 13.913±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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