2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
Basic information
- CAS
1008079-21-7- Standard SMILES
CC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Cl)cc1- InChIKey
PECMYVLJPLAFKN-UHFFFAOYSA-N- Molecular formula
- C18H27ClN2O
- Average molar mass
- 322.9 g/mol
- Monoisotopic mass
- 322.1811912
Names & identifiers
- Preferred name
- 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
- IUPAC
- 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
Names & synonyms
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamideMLS000772681CHEMBL1485543DTXSID601324106HMS2736E04AKOS0343489861008079-21-7SMR000344618AB00585793-02Z44450103N~2~-[(4-Chlorophenyl)methyl]-N-(cyclohexylmethyl)-N~2~-methylalaninamide
Database identifiers
- CAS
1008079-21-7- PubChem CID
- 4883437
- DTXSID
DTXSID601324106- ChEMBL
CHEMBL1485543
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility19.5 [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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