3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

C21H21NO5 — CID 2891138

IUPAC3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)c(OC)c1
InChIInChI=1S/C21H21NO5/c1-13(23)18-19(16-10-9-15(26-2)11-17(16)27-3)22(21(25)20(18)24)12-14-7-5-4-6-8-14/h4-11,19,24H,12H2,1-3H3
InChIKeyASYQMTCCGSMVMU-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.19
Rot. Bonds6

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

3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 2891138) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID2891138
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)c(OC)c1
InChIInChI=1S/C21H21NO5/c1-13(23)18-19(16-10-9-15(26-2)11-17(16)27-3)22(21(25)20(18)24)12-14-7-5-4-6-8-14/h4-11,19,24H,12H2,1-3H3
InChIKeyASYQMTCCGSMVMU-UHFFFAOYSA-N
XLogP3.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2902442
(2,4-Dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 44590005
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
CID 69080186
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080188
5-(2,6-Dimethoxyphenyl)-3,3-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080268
7-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)azepan-2-one
CID 69080890
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-methoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69081619
6-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081717
6-(2,6-Dimethoxyphenyl)-1-(1-(4-(trifluoromethoxy)phenyl)ethyl)piperidin-2-one
CID 69081821
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082001
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082236
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082595

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 2891138) is 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)c(OC)c1.
What is the InChIKey of 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is ASYQMTCCGSMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-13(23)18-19(16-10-9-15(26-2)11-17(16)27-3)22(21(25)20(18)24)12-14-7-5-4-6-8-14/h4-11,19,24H,12H2,1-3H3.
What are the key properties of 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 367.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 2891138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).