1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C24H27NO5 — CID 108720124

IUPAC1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC)C2c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C24H27NO5/c1-5-20(26)21-22(16-10-12-18(13-11-16)30-15(3)4)25(24(28)23(21)27)17-8-7-9-19(14-17)29-6-2/h7-15,22,27H,5-6H2,1-4H3
InChIKeyZIRXUDKTTDNAIQ-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.75
Rot. Bonds8

About 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 108720124) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
PubChem CID108720124
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC)C2c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C24H27NO5/c1-5-20(26)21-22(16-10-12-18(13-11-16)30-15(3)4)25(24(28)23(21)27)17-8-7-9-19(14-17)29-6-2/h7-15,22,27H,5-6H2,1-4H3
InChIKeyZIRXUDKTTDNAIQ-UHFFFAOYSA-N
XLogP4.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108720141
1-(3-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721171
2-(3-ethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108596064
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
1-(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108679927
2-(4-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108594942
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700536
ethyl 3-[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzoate
CID 108697658
1-(1,3-benzodioxol-5-yl)-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108675767
(4E)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108670939
1-(3,4-diethoxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108708310
(4E)-1-(3-ethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108720120

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 108720124) is 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC)C2c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The InChIKey is ZIRXUDKTTDNAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-5-20(26)21-22(16-10-12-18(13-11-16)30-15(3)4)25(24(28)23(21)27)17-8-7-9-19(14-17)29-6-2/h7-15,22,27H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 409.48 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108720124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).