N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide

C24H26N2O4 — CID 108683827

IUPACN-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
SMILESCCc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C24H26N2O4/c1-5-16-9-11-17(12-10-16)21-20(22(28)14(2)3)23(29)24(30)26(21)19-8-6-7-18(13-19)25-15(4)27/h6-14,21,29H,5H2,1-4H3,(H,25,27)
InChIKeyPGSZUGDRYJJJMZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.33
Rot. Bonds6

About N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide

N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide (PubChem CID 108683827) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
PubChem CID108683827
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
SMILESCCc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C24H26N2O4/c1-5-16-9-11-17(12-10-16)21-20(22(28)14(2)3)23(29)24(30)26(21)19-8-6-7-18(13-19)25-15(4)27/h6-14,21,29H,5H2,1-4H3,(H,25,27)
InChIKeyPGSZUGDRYJJJMZ-UHFFFAOYSA-N
XLogP4.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3E)-2-(4-ethylphenyl)-3-[(4-ethylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108683795
N-[3-[4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108666130
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
N-[3-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108683784
N-[3-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108608047
1-butyl-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649783
1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108658355
N-[3-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-pentoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108683822
N-[3-[(3E)-3-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108683803
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700536
1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649703

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide (CID 108683827) is N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide is CCc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide?
The InChIKey is PGSZUGDRYJJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-5-16-9-11-17(12-10-16)21-20(22(28)14(2)3)23(29)24(30)26(21)19-8-6-7-18(13-19)25-15(4)27/h6-14,21,29H,5H2,1-4H3,(H,25,27).
What are the key properties of N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide?
N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide is sourced from PubChem (CID 108683827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).