2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one

C25H23NO6 — CID 652107

IUPAC2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)cc1OC
InChIInChI=1S/C25H23NO6/c1-30-18-11-10-17(15-20(18)31-2)22-21(23(27)19-9-6-14-32-19)24(28)25(29)26(22)13-12-16-7-4-3-5-8-16/h3-11,14-15,22,28H,12-13H2,1-2H3
InChIKeyDMFFTBJDDXUOMK-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.12
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one

2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 652107) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID652107
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)cc1OC
InChIInChI=1S/C25H23NO6/c1-30-18-11-10-17(15-20(18)31-2)22-21(23(27)19-9-6-14-32-19)24(28)25(29)26(22)13-12-16-7-4-3-5-8-16/h3-11,14-15,22,28H,12-13H2,1-2H3
InChIKeyDMFFTBJDDXUOMK-UHFFFAOYSA-N
XLogP4.12
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
4-(2-Furoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934348
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(furan-2-yl)methanone
CID 751492
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 4780468
N-(5-Ethoxy-2,3-dihydro-6-methoxy-3-oxo-1H-inden-1-yl)-2-furancarboxamide
CID 5181998
2-(4-acetylphenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
CID 16317493
(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(5-methylfuran-2-yl)methanone
CID 17584605
4-Acetyl-5-benzo[1,3]dioxol-5-yl-1-furan-2-ylmethyl-3-hydroxy-1,5-dihydro-pyrrol-2-one
CID 557217
(4E)-5-(3,4-dimethoxyphenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 652689
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
4-(furan-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 2910339

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 652107) is 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is DMFFTBJDDXUOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-30-18-11-10-17(15-20(18)31-2)22-21(23(27)19-9-6-14-32-19)24(28)25(29)26(22)13-12-16-7-4-3-5-8-16/h3-11,14-15,22,28H,12-13H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 433.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 652107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).