3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one

C24H27NO7 — CID 3145982

IUPAC3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C24H27NO7/c1-14(26)21-22(17-13-16(29-2)7-9-18(17)30-3)25(24(28)23(21)27)11-10-15-6-8-19(31-4)20(12-15)32-5/h6-9,12-13,22,27H,10-11H2,1-5H3
InChIKeyCEQCZNABXXVWSC-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.25
Rot. Bonds9

About 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one

3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 3145982) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID3145982
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Name3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C24H27NO7/c1-14(26)21-22(17-13-16(29-2)7-9-18(17)30-3)25(24(28)23(21)27)11-10-15-6-8-19(31-4)20(12-15)32-5/h6-9,12-13,22,27H,10-11H2,1-5H3
InChIKeyCEQCZNABXXVWSC-UHFFFAOYSA-N
XLogP3.25
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one (CID 3145982) is 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one is COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is CEQCZNABXXVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-14(26)21-22(17-13-16(29-2)7-9-18(17)30-3)25(24(28)23(21)27)11-10-15-6-8-19(31-4)20(12-15)32-5/h6-9,12-13,22,27H,10-11H2,1-5H3.
What are the key properties of 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 441.48 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 3145982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).