4-[4-(allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
608119-57-9- Standard SMILES
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(N(C)C)cc2)c(C)c1- InChIKey
MRRMPOARCGEBIZ-WJTDDFOZSA-N- Molecular formula
- C27H33N3O4
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.24710654
Names & identifiers
- Preferred name
- 4-[4-(allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione
- English name
- 4-[4-(Allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C27H33N3O4
- Molecular weight
- 463.57
Names & synonyms
STK811048AKOS001667589AKOS0160582021-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-4-{[2-methyl-4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one4-[4-(allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(2-propen-1-yloxy)benzoyl]-
Database identifiers
- CAS
608119-57-9- PubChem CID
- 5899481
- EC Number
- 134-627-7
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 770
Physicochemical properties
- Boiling point
- 666.568 · 666.568±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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