2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C26H32N2O7 — CID 662129

IUPAC2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC
InChIInChI=1S/C26H32N2O7/c1-4-33-19-9-7-18(16-21(19)34-5-2)23-22(24(29)20-8-6-17(3)35-20)25(30)26(31)28(23)11-10-27-12-14-32-15-13-27/h6-9,16,23,30H,4-5,10-15H2,1-3H3
InChIKeySPGYOOOBHVGZBM-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.30
Rot. Bonds10

About 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 662129) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID662129
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC
InChIInChI=1S/C26H32N2O7/c1-4-33-19-9-7-18(16-21(19)34-5-2)23-22(24(29)20-8-6-17(3)35-20)25(30)26(31)28(23)11-10-27-12-14-32-15-13-27/h6-9,16,23,30H,4-5,10-15H2,1-3H3
InChIKeySPGYOOOBHVGZBM-UHFFFAOYSA-N
XLogP3.30
TPSA101.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholinoethyl)-2H-pyrrol-5-one
CID 2909444
3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 4780468
2-(4-acetylphenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
CID 16317493
(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(5-methylfuran-2-yl)methanone
CID 17584605
1-(1,3-Benzodioxol-5-ylmethyl)-4-(5-methyl-2-furoyl)piperazine
CID 897932
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
4-(furan-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 2910339
4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918603
4-{(1S)-2-[(2R)-4-Benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}-3-methoxy-N-methyl-benzamide
CID 11719112
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 22937735

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 662129) is 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is SPGYOOOBHVGZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-4-33-19-9-7-18(16-21(19)34-5-2)23-22(24(29)20-8-6-17(3)35-20)25(30)26(31)28(23)11-10-27-12-14-32-15-13-27/h6-9,16,23,30H,4-5,10-15H2,1-3H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 484.55 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).