3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

C21H23NO5 — CID 108654383

IUPAC3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccco2)cc1
InChIInChI=1S/C21H23NO5/c1-5-26-14-10-8-13(9-11-14)22-17(15-7-6-12-27-15)16(18(23)20(22)25)19(24)21(2,3)4/h6-12,17,23H,5H2,1-4H3
InChIKeyRAUBRJGXUCAHGB-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.19
Rot. Bonds5

About 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108654383) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108654383
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccco2)cc1
InChIInChI=1S/C21H23NO5/c1-5-26-14-10-8-13(9-11-14)22-17(15-7-6-12-27-15)16(18(23)20(22)25)19(24)21(2,3)4/h6-12,17,23H,5H2,1-4H3
InChIKeyRAUBRJGXUCAHGB-UHFFFAOYSA-N
XLogP4.19
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-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

1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108654730
1-(3,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108653687
3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108674635
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108607873
(2R)-1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 129391658
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606657
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
(4Z)-4-[(2,4-diethoxyphenyl)-hydroxymethylidene]-1-(4-ethoxyphenyl)-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108654356
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658876

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108654383) is 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccco2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RAUBRJGXUCAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-5-26-14-10-8-13(9-11-14)22-17(15-7-6-12-27-15)16(18(23)20(22)25)19(24)21(2,3)4/h6-12,17,23H,5H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 369.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108654383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).