(4E)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Basic information
- CAS
488717-09-5- Standard SMILES
Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C- InChIKey
QOYWVHLILBKUPN-ZNTNEXAZSA-N- Molecular formula
- C26H31N3O6
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.22128572
Names & identifiers
- Preferred name
- (4E)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-5-(4-nitrophenyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
- English name
- 1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C26H31N3O6
- Molecular weight
- 481.54
Names & synonyms
STK604284STK812052AKOS002191776AKOS005540092AKOS016064101Z57780759(4E)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-5-(4-nitrophenyl)pyrrolidine-2,3-dione1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-4-(4-ISOBUTOXY-3-METHYLBENZOYL)-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE1-[2-(dimethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-(4-nitrophenyl)-
Database identifiers
- CAS
488717-09-5- PubChem CID
- 5904095
- EC Number
- 134-790-4
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 812
Physicochemical properties
- Boiling point
- 674.1 · 674.1±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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