1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one

C24H27NO5 — CID 108677854

IUPAC1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccccc2)cc1OCC
InChIInChI=1S/C24H27NO5/c1-5-29-18-13-12-17(14-19(18)30-6-2)25-21(16-10-8-7-9-11-16)20(22(26)15(3)4)23(27)24(25)28/h7-15,21,27H,5-6H2,1-4H3
InChIKeyKTTAOAWYASBRNT-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.61
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one

1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 108677854) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID108677854
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccccc2)cc1OCC
InChIInChI=1S/C24H27NO5/c1-5-29-18-13-12-17(14-19(18)30-6-2)25-21(16-10-8-7-9-11-16)20(22(26)15(3)4)23(27)24(25)28/h7-15,21,27H,5-6H2,1-4H3
InChIKeyKTTAOAWYASBRNT-UHFFFAOYSA-N
XLogP4.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
1-(3,4-diethoxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108708310
1-(3,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638037
1-(3,4-diethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108713606
1-(3,4-diethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108677874
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700536
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-diethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108677876
(4E)-1-(3,4-diethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108677807
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3,4-diethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108677875
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108678459
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108688953

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one (CID 108677854) is 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one is CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccccc2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is KTTAOAWYASBRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-5-29-18-13-12-17(14-19(18)30-6-2)25-21(16-10-8-7-9-11-16)20(22(26)15(3)4)23(27)24(25)28/h7-15,21,27H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one?
1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 409.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108677854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).