Basic information
- Standard SMILES
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(N2CCCC2)c1- InChIKey
SRCAXQLZTYEFAG-UHFFFAOYSA-N- Molecular formula
- C24H30N2O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.22564282
Names & identifiers
- Preferred name
- 5-(2,6-Dimethoxyphenyl)-3-methyl-1-(3-(pyrrolidin-1-yl)benzyl)pyrrolidin-2-one
- IUPAC
- 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL4529858CHEMBL3940994SRCAXQLZTYEFAG-UHFFFAOYSA-NBDBM202976US9242970, 1235-(2,6-dimethoxyphenyl)-3-methyl-1-(3-(pyrrolidin-1-yl)benzyl)pyrrolidin-2-one
Database identifiers
- PubChem CID
- 69080271
- ChEMBL
CHEMBL3940994
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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