Basic information
- CAS
488717-32-4- Standard SMILES
CCOc1cc(C2/C(=C(\O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O- InChIKey
IBKZBMYPAPMAPD-UHFFFAOYSA-N- Molecular formula
- C31H40N2O7
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.28355162
Names & identifiers
- Preferred name
- (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C31H40N2O7
- Molecular weight
- 552.66
Names & synonyms
5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-1,5-dihydro-2H-pyrrol-2-oneAF-399/41703490STK811969AKOS002191508AKOS016056729(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3-ethoxy-4-hydroxyphenyl)-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
488717-32-4- PubChem CID
- 5777577
- EC Number
- 134-770-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 887
Physicochemical properties
- Boiling point
- 747.8 · 747.8±60.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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