1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C21H23NO4 — CID 108658355

IUPAC1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccc(C)o2)cc1
InChIInChI=1S/C21H23NO4/c1-5-14-7-9-15(10-8-14)22-18(16-11-6-13(4)26-16)17(19(23)12(2)3)20(24)21(22)25/h6-12,18,24H,5H2,1-4H3
InChIKeyITKDOVUODDLSNY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108658355) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108658355
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccc(C)o2)cc1
InChIInChI=1S/C21H23NO4/c1-5-14-7-9-15(10-8-14)22-18(16-11-6-13(4)26-16)17(19(23)12(2)3)20(24)21(22)25/h6-12,18,24H,5H2,1-4H3
InChIKeyITKDOVUODDLSNY-UHFFFAOYSA-N
XLogP4.28
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658332
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658377
4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108658530
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide
CID 108686176
1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609255
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658876
3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108659143
1-(3,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658011
2-[4-[3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108683567
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108658269
N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108683827

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108658355) is 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is CCc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2c2ccc(C)o2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is ITKDOVUODDLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-5-14-7-9-15(10-8-14)22-18(16-11-6-13(4)26-16)17(19(23)12(2)3)20(24)21(22)25/h6-12,18,24H,5H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 353.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108658355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).