1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
497942-22-0- Standard SMILES
CCOc1ccc(C2/C(=C(\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)cc1- InChIKey
VUTWVJSLSXDUPD-UHFFFAOYSA-N- Molecular formula
- C27H34N2O5
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.24677219
Names & identifiers
- Preferred name
- 1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione
- English name
- 1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C27H34N2O5
- Molecular weight
- 466.57
Names & synonyms
1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one497942-22-0AF-399/41703759STK811773AKOS002191624AKOS016056525(4E)-1-[2-(Diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione1-(2-(diethylamino)ethyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-1,5-dihydro-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-
Database identifiers
- CAS
497942-22-0- PubChem CID
- 5941597
- EC Number
- 134-705-0
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 727
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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