2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one

C20H25NO4 — CID 108649303

IUPAC2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(CC)cc1
InChIInChI=1S/C20H25NO4/c1-3-13-7-9-14(10-8-13)18-17(16(22)4-2)19(23)20(24)21(18)12-15-6-5-11-25-15/h7-10,15,18,23H,3-6,11-12H2,1-2H3
InChIKeyJZVWMCCETZOOJL-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one

2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108649303) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108649303
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(CC)cc1
InChIInChI=1S/C20H25NO4/c1-3-13-7-9-14(10-8-13)18-17(16(22)4-2)19(23)20(24)21(18)12-15-6-5-11-25-15/h7-10,15,18,23H,3-6,11-12H2,1-2H3
InChIKeyJZVWMCCETZOOJL-UHFFFAOYSA-N
XLogP3.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-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

4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634202
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080434
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847486
(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847442
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108612339
2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108642681
4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634205
4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634217
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394
(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1364706
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-ethylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 40960025
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 3152545

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one (CID 108649303) is 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is JZVWMCCETZOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-13-7-9-14(10-8-13)18-17(16(22)4-2)19(23)20(24)21(18)12-15-6-5-11-25-15/h7-10,15,18,23H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one?
2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 343.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108649303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).