2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C24H27NO7 — CID 3426797

IUPAC2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESC=CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)cc1OCC
InChIInChI=1S/C24H27NO7/c1-5-12-31-17-10-8-16(14-19(17)30-6-2)21-20(22(26)18-9-7-15(3)32-18)23(27)24(28)25(21)11-13-29-4/h5,7-10,14,21,27H,1,6,11-13H2,2-4H3
InChIKeyVCMJPCZRNMUAFP-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.78
Rot. Bonds11

About 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3426797) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3426797
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Name2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESC=CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)cc1OCC
InChIInChI=1S/C24H27NO7/c1-5-12-31-17-10-8-16(14-19(17)30-6-2)21-20(22(26)18-9-7-15(3)32-18)23(27)24(28)25(21)11-13-29-4/h5,7-10,14,21,27H,1,6,11-13H2,2-4H3
InChIKeyVCMJPCZRNMUAFP-UHFFFAOYSA-N
XLogP3.78
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3147569
2-(3-ethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3421860
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793477
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3425865
methyl 2-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3426802
2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3427926
2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 3396728
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182905
2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3427279
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3427342
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3372731
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 4005648

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 3426797) is 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is C=CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)cc1OCC.
What is the InChIKey of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is VCMJPCZRNMUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-5-12-31-17-10-8-16(14-19(17)30-6-2)21-20(22(26)18-9-7-15(3)32-18)23(27)24(28)25(21)11-13-29-4/h5,7-10,14,21,27H,1,6,11-13H2,2-4H3.
What are the key properties of 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 441.48 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3426797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).