4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
488747-74-6- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)c(OC)c2)cc1C- InChIKey
CBSTZQBNJTVPMB-WJTDDFOZSA-N- Molecular formula
- C27H34N2O6
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.24168681
Names & identifiers
- Preferred name
- 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
- English name
- 4-(4-butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C27H34N2O6
- Molecular weight
- 482.57
Names & synonyms
STK811814AKOS002191483AKOS0160565754-(4-butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1H-pyrrol-2(5H)-one4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-
Database identifiers
- CAS
488747-74-6- PubChem CID
- 6299019
- EC Number
- 134-712-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 769
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…