Basic information
- CAS
5602-16-4- Standard SMILES
COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1- InChIKey
JGZSUYLYMSVNRA-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- 3-{[2-(4-Methoxyphenyl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dione
- IUPAC
- 3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
Names & synonyms
5602-16-43-{[2-(4-methoxyphenyl)ethyl]amino}-1-(2-phenylethyl)-2,5-pyrrolidinedione3-{[2-(4-methoxyphenyl)ethyl]amino}-1-(2-phenylethyl)pyrrolidine-2,5-dioneSMR000140522CBMicro_025394MLS000533084CHEMBL1370577DTXSID00386179HMS2504B16CCG-12672STK007134AKOS000508396
Show more names
AKOS022083462BIM-0025576.P001AG-205/11299474AG-690/12766495SR-01000214633SR-01000214633-13-((4-methoxyphenethyl)amino)-1-phenethylpyrrolidine-2,5-dione3-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
Database identifiers
- CAS
5602-16-4- PubChem CID
- 2854580
- DTXSID
DTXSID00386179- ChEMBL
CHEMBL1370577
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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