1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

C23H25NO5 — CID 108682877

IUPAC1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(OC)cc(OC)c2)C1c1ccc(CC)cc1
InChIInChI=1S/C23H25NO5/c1-5-14-7-9-15(10-8-14)21-20(19(25)6-2)22(26)23(27)24(21)16-11-17(28-3)13-18(12-16)29-4/h7-13,21,26H,5-6H2,1-4H3
InChIKeyOPMHTDOTHWPRKG-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.15
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one

1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108682877) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
PubChem CID108682877
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(OC)cc(OC)c2)C1c1ccc(CC)cc1
InChIInChI=1S/C23H25NO5/c1-5-14-7-9-15(10-8-14)21-20(19(25)6-2)22(26)23(27)24(21)16-11-17(28-3)13-18(12-16)29-4/h7-13,21,26H,5-6H2,1-4H3
InChIKeyOPMHTDOTHWPRKG-UHFFFAOYSA-N
XLogP4.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108575948
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108682898
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108682897
ethyl 3-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzoate
CID 108697658
4-hydroxy-2-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-propanoyl-2H-pyrrol-5-one
CID 108689215
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
2-[4-[4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108666735
2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108676463
methyl 3-[2-(4-ethylphenyl)-4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]benzoate
CID 108683503
1-(4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577109
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108575795

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one (CID 108682877) is 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2cc(OC)cc(OC)c2)C1c1ccc(CC)cc1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is OPMHTDOTHWPRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-5-14-7-9-15(10-8-14)21-20(19(25)6-2)22(26)23(27)24(21)16-11-17(28-3)13-18(12-16)29-4/h7-13,21,26H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one?
1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 395.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108682877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).