1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C20H28N2O3 — CID 108649703

IUPAC1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C20H28N2O3/c1-6-14-7-9-15(10-8-14)17-16(18(23)13(2)3)19(24)20(25)22(17)12-11-21(4)5/h7-10,13,17,24H,6,11-12H2,1-5H3
InChIKeyIWJPPCXOKGQAJL-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.73
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108649703) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID108649703
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C20H28N2O3/c1-6-14-7-9-15(10-8-14)17-16(18(23)13(2)3)19(24)20(25)22(17)12-11-21(4)5/h7-10,13,17,24H,6,11-12H2,1-5H3
InChIKeyIWJPPCXOKGQAJL-UHFFFAOYSA-N
XLogP2.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640409
1-butyl-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108649783
1-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108649629
[5-[1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenyl] acetate
CID 108696879
(2R)-3-acetyl-1-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 839066
1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108645769
(2R)-3-acetyl-2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 839106
2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108641425
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643823
1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108635599
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108599499
4-hydroxy-3-(2-methylpropanoyl)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635042

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 108649703) is 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one is CCc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2CCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is IWJPPCXOKGQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-6-14-7-9-15(10-8-14)17-16(18(23)13(2)3)19(24)20(25)22(17)12-11-21(4)5/h7-10,13,17,24H,6,11-12H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 344.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108649703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).