Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl)methyl)-
Basic information
- CAS
145131-59-5- Standard SMILES
Cc1c(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c2ccccc2n1C- InChIKey
RVKCQYKXEDPLOG-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-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl)methyl)-
- IUPAC
- 1-[[1-(1,2-dimethylindol-3-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
- English name
- 1-[[1-(1,2-dimethylindol-3-yl)cyclopentyl]methyl]-3-(2,6-dipropan-2-yl phenyl)urea
- Molecular formula
- C29H39N3O
- Molecular weight
- 445.64
Names & synonyms
145131-59-5Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl)methyl)-N(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(1-(1,2-dimethyl-3-indolyl)cyclopentylmethyl)ureaN-(2,6-Bis(1-methylethyl)phenyl)-N'-((1-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl)methyl)ureaDTXSID10162921RefChem:387818DTXCID40854121-[[1-(1,2-dimethylindol-3-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]ureaN-{[1-(1,2-Dimethyl-1H-indol-3-yl)cyclopentyl]methyl}-N'-[2,6-di(propan-2-yl)phenyl]urea1-[[1-(1,2-dimethylindol-3-yl)cyclopentyl]methyl]-3-(2,6-dipropan-2-yl phenyl)ureaUrea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl]methyl]-
Database identifiers
- CAS
145131-59-5- PubChem CID
- 3072933
- DTXSID
DTXSID10162921
Properties
Computed structural properties
- XLogP
- 7
- 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
- 639
Physicochemical properties
- Boiling point
- 570.7 · 570.7±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
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