2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one

C22H25NO6 — CID 43860027

IUPAC2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C22H25NO6/c1-13(2)10-16(24)19-20(14-7-8-17(27-3)18(11-14)28-4)23(22(26)21(19)25)12-15-6-5-9-29-15/h5-9,11,13,20,25H,10,12H2,1-4H3
InChIKeyGXFWLEHGDXOABA-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.81
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one

2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one (PubChem CID 43860027) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
PubChem CID43860027
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C22H25NO6/c1-13(2)10-16(24)19-20(14-7-8-17(27-3)18(11-14)28-4)23(22(26)21(19)25)12-15-6-5-9-29-15/h5-9,11,13,20,25H,10,12H2,1-4H3
InChIKeyGXFWLEHGDXOABA-UHFFFAOYSA-N
XLogP3.81
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-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

1-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859884
2-[4-(diethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860016
(2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 27308311
2-(4-ethoxy-3-methoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4633249
1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108607091
1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662351
4-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(3-methylbutanoyl)-1-propyl-2H-pyrrol-5-one
CID 108664085
1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6260499
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108612408
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700710
3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methoxy-4-pentoxyphenyl)-2H-pyrrol-5-one
CID 4260282
3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 565942

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one (CID 43860027) is 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The InChIKey is GXFWLEHGDXOABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-13(2)10-16(24)19-20(14-7-8-17(27-3)18(11-14)28-4)23(22(26)21(19)25)12-15-6-5-9-29-15/h5-9,11,13,20,25H,10,12H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one has a molecular weight of 399.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 43860027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).