2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

C25H30N2O6 — CID 75793477

IUPAC2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCCC2)cc1OC
InChIInChI=1S/C25H30N2O6/c1-4-32-18-10-8-17(15-20(18)31-3)22-21(23(28)19-9-7-16(2)33-19)24(29)25(30)27(22)14-13-26-11-5-6-12-26/h7-10,15,22,29H,4-6,11-14H2,1-3H3
InChIKeyPHTSQGFSJNIDKZ-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.67
Rot. Bonds9

About 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75793477) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75793477
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCCC2)cc1OC
InChIInChI=1S/C25H30N2O6/c1-4-32-18-10-8-17(15-20(18)31-3)22-21(23(28)19-9-7-16(2)33-19)24(29)25(30)27(22)14-13-26-11-5-6-12-26/h7-10,15,22,29H,4-6,11-14H2,1-3H3
InChIKeyPHTSQGFSJNIDKZ-UHFFFAOYSA-N
XLogP3.67
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-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-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 75793481
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793248
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3147569
2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3427346
2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793499
2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3426797
(2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1033534
2-(4-ethoxy-3-methoxyphenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276618
2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4866399
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3425865
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3427342
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793503

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (CID 75793477) is 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCCC2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is PHTSQGFSJNIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-4-32-18-10-8-17(15-20(18)31-3)22-21(23(28)19-9-7-16(2)33-19)24(29)25(30)27(22)14-13-26-11-5-6-12-26/h7-10,15,22,29H,4-6,11-14H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 454.52 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).