Urea, 1-(4-cyclohexylmethyl-1-cyclohexyl)-3-(m-tolyl)-
Basic information
- CAS
102433-10-3- Standard SMILES
Cc1cccc(NC(=O)NC2CCC(CC3CCCCC3)CC2)c1- InChIKey
KEPFKNDJHUYRKY-UHFFFAOYSA-N- Molecular formula
- C21H32N2O
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.25146365
Names & identifiers
- Preferred name
- Urea, 1-(4-cyclohexylmethyl-1-cyclohexyl)-3-(m-tolyl)-
- IUPAC
- 1-[4-(cyclohexylmethyl)cyclohexyl]-3-(3-methylphenyl)urea
Names & synonyms
1-(4-Cyclohexylmethylcyclohexyl)-3-(m-tolyl)ureaUrea, 1-(4-cyclohexylmethyl-1-cyclohexyl)-3-(m-tolyl)-102433-10-3RefChem:387471NSC173060DTXSID50907530NSC-173060N'-[4-(Cyclohexylmethyl)cyclohexyl]-N-(3-methylphenyl)carbamimidic acid
Database identifiers
- CAS
102433-10-3- PubChem CID
- 299755
- DTXSID
DTXSID50907530- Nikkaji
- J87.624K
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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