N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
Basic information
- CAS
956790-23-1- Standard SMILES
Cc1ccc(N2CC(C(=O)NC3CCC(C)CC3)CC2=O)cc1- InChIKey
HHWNXIVRKAXJTJ-UHFFFAOYSA-N- Molecular formula
- C19H26N2O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.19942808
Names & identifiers
- Preferred name
- N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
- IUPAC
- N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Names & synonyms
N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamideMLS001125410956790-23-1N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamideSMR000668730CHEMBL1888935BDBM91024cid_2964336DTXSID701322296HMS2978M10AKOS001075367AK-918/42813964
Show more names
SR-01000285438SR-01000285438-1Z296907195-keto-N-(4-methylcyclohexyl)-1-(p-tolyl)pyrrolidine-3-carboxamideN-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
Database identifiers
- CAS
956790-23-1- PubChem CID
- 2964336
- DTXSID
DTXSID701322296- ChEMBL
CHEMBL1888935
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
Solubility2.5 [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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