1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
500276-05-1- Standard SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2C)C1c1ccc(OC)c(OC)c1- InChIKey
XAEHXGIDJLSLCJ-BYCLXTJYSA-N- Molecular formula
- C30H40N2O6
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.288637
Names & identifiers
- Preferred name
- 1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
Names & synonyms
STK812829AKOS002196023AKOS0160641871-(2-(diethylamino)ethyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-{[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
500276-05-1- PubChem CID
- 6247166
- EC Number
- 134-944-0
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 826
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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