1-Cyclohexyl-3-((3,4-dimethoxyphenethyl)amino)pyrrolidine-2,5-dione
Basic information
- CAS
1023919-61-0- Standard SMILES
COc1ccc(CCNC2CC(=O)N(C3CCCCC3)C2=O)cc1OC- InChIKey
KMXOZOATZUOPPQ-UHFFFAOYSA-N- Molecular formula
- C20H28N2O4
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.20490738
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-((3,4-dimethoxyphenethyl)amino)pyrrolidine-2,5-dione
- IUPAC
- 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione
Names & synonyms
1-cyclohexyl-3-((3,4-dimethoxyphenethyl)amino)pyrrolidine-2,5-dione1023919-61-01-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione1-cyclohexyl-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}pyrrolidine-2,5-dioneMLS000672390CHEMBL1528947DTXSID601325930HMS1599D15HMS2718M22STL020500AKOS002311275AKOS016319467
Show more names
SMR000296010ST50489742VU0507622-1SR-01000293223SR-01000293223-1F3023-04201-cyclohexyl-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,5-pyrrolidinedione3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-cyclohexylazolidine-2,5-dione
Database identifiers
- CAS
1023919-61-0- PubChem CID
- 2972070
- DTXSID
DTXSID601325930- ChEMBL
CHEMBL1528947
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Experimental & physicochemical properties
Solubility46.4 [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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