5-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one

HCID 5775078

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Basic information

CAS: 489415-83-0
Standard SMILES: Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(Br)cc2)ccc1OCC(C)C
InChIKey: VRKVOUHHVAJZEQ-ZNTNEXAZSA-N
Molecular formula: C26H31BrN2O4
Average molar mass: 515.4 g/mol
Monoisotopic mass: 514.14672

Names & identifiers

Preferred name: 5-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
IUPAC: (4E)-5-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione

Names & synonyms

STK812258AKOS002192603AKOS0160648465-(4-bromophenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one5-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one

Database identifiers

CAS: 489415-83-0
PubChem CID: 5775078
EC Number: 134-885-0

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 730

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