5-(4-Butoxyphenyl)-1-[3-(diethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

HCID 5208596

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Basic information

CAS: 7017-61-0
Standard SMILES: CCCCOc1ccc(C2C(=C(O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN(CC)CC)cc1
InChIKey: DHPVOANNIXXLAO-UHFFFAOYSA-N
Molecular formula: C29H38N2O5
Average molar mass: 494.6 g/mol
Monoisotopic mass: 494.27807232

Names & identifiers

Preferred name: 5-(4-Butoxyphenyl)-1-[3-(diethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
IUPAC: 5-(4-butoxyphenyl)-1-[3-(diethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

Names & synonyms

7017-61-05-(4-butoxyphenyl)-1-[3-(diethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dioneDTXSID704100515-(4-BUTOXYPHENYL)-1-[3-(DIETHYLAMINO)PROPYL]-4-[HYDROXY(3-METHOXYPHENYL)METHYLIDENE]PYRROLIDINE-2,3-DIONE

Database identifiers

CAS: 7017-61-0
PubChem CID: 5208596
DTXSID: DTXSID70410051

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 79.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 36
Formal charge: 0
Complexity: 742

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