Basic information
- CAS
956374-82-6- Standard SMILES
CC1CCC(NC(=O)CC(NC(N)=O)c2ccccc2Cl)CC1- InChIKey
UOJWIURZYXWTTP-UHFFFAOYSA-N- Molecular formula
- C17H24ClN3O2
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1557047
Names & identifiers
- Preferred name
- 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(4-methylcyclohexyl)propanamide
- IUPAC
- 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(4-methylcyclohexyl)propanamide
Names & synonyms
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(4-methylcyclohexyl)propanamideMLS001172195CHEMBL1532788DTXSID601329770HMS2902J08AKOS034105610956374-82-6SMR000594981SR-01000063833SR-01000063833-1Z29691082
Database identifiers
- CAS
956374-82-6- PubChem CID
- 4882986
- DTXSID
DTXSID601329770- ChEMBL
CHEMBL1532788
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Experimental & physicochemical properties
Solubility46.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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