Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-phenyl-1H-indol-3-yl)cyclopentyl)methyl)-
Basic information
- CAS
145131-32-4- Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cn(-c3ccccc3)c3ccccc23)CCCC1- InChIKey
BYLKFLVZRAZRBC-UHFFFAOYSA-N- Molecular formula
- C33H39N3O
- Average molar mass
- 493.7 g/mol
- Monoisotopic mass
- 493.30931288
Names & identifiers
- Preferred name
- Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-phenyl-1H-indol-3-yl)cyclopentyl)methyl)-
- IUPAC
- 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-phenylindol-3-yl)cyclopentyl]methyl]urea
- English name
- N(sup 1)-(2,6-diisopropylphenyl)-N(sup 2)-(1-(1-phenyl-3-indolyl)cyclo pentylmethyl)urea
- Molecular formula
- C33H39N3O
- Molecular weight
- 493.68
Names & synonyms
145131-32-4N-(2,6-Bis(1-methylethyl)phenyl)-N'-((1-(1-phenyl-1H-indol-3-yl)cyclopentyl)methyl)ureaN(sup 1)-(2,6-diisopropylphenyl)-N(sup 2)-(1-(1-phenyl-3-indolyl)cyclopentylmethyl)ureaUrea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-phenyl-1H-indol-3-yl)cyclopentyl)methyl)-RefChem:3878351-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-phenylindol-3-yl)cyclopentyl]methyl]ureaDTXSID30932507N(sup 1)-(2,6-diisopropylphenyl)-N(sup 2)-(1-(1-phenyl-3-indolyl)cyclo pentylmethyl)ureaN-[2,6-Di(propan-2-yl)phenyl]-N'-{[1-(1-phenyl-1H-indol-3-yl)cyclopentyl]methyl}carbamimidic acidUrea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-phenyl-1H-indol-3-yl)cyclopentyl]methyl]-
Database identifiers
- CAS
145131-32-4- PubChem CID
- 3072906
- DTXSID
DTXSID30932507
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 568.311 · 568.311±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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