Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclohexyl)methyl)-
Basic information
- CAS
145131-25-5- Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cn(C)c3ccccc23)CCCCC1- InChIKey
YIZUGMRAJJBEBN-UHFFFAOYSA-N- Molecular formula
- C29H39N3O
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.30931288
Names & identifiers
- Preferred name
- Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclohexyl)methyl)-
- IUPAC
- 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclohexyl]methyl]urea
- English name
- 3-(2,6-dipropan-2-ylphenyl)-1-[[1-(1-methylindol-3-yl)cyclohexyl]methy l]urea
- Molecular formula
- C29H39N3O
- Molecular weight
- 445.64
Names & synonyms
145131-25-5Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclohexyl)methyl)-N-(2,6-Bis(1-methylethyl)phenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclohexyl)methyl)ureaN(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(1-(1-methyl-3-indolyl)cyclohexylmethyl)ureaDTXSID20162896RefChem:387832DTXCID40853871-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclohexyl]methyl]ureaN-[2,6-Di(propan-2-yl)phenyl]-N'-{[1-(1-methyl-1H-indol-3-yl)cyclohexyl]methyl}urea3-(2,6-dipropan-2-ylphenyl)-1-[[1-(1-methylindol-3-yl)cyclohexyl]methy l]ureaUrea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-methyl-1H-indol-3-yl)cyclohexyl]methyl]-
Database identifiers
- CAS
145131-25-5- PubChem CID
- 3072899
- DTXSID
DTXSID20162896- Nikkaji
- J759.419D
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Boiling point
- 572.2 · 572.2±50.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…