2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C30H34N2O5 — CID 5268621

IUPAC2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(C(C)(C)C)cc3)cc2c1
InChIInChI=1S/C30H34N2O5/c1-19-5-10-23-21(17-19)18-24(37-23)27(33)25-26(20-6-8-22(9-7-20)30(2,3)4)32(29(35)28(25)34)12-11-31-13-15-36-16-14-31/h5-10,17-18,26,34H,11-16H2,1-4H3
InChIKeyWKZAFFSBXSXOJR-UHFFFAOYSA-N
MW502.61 g/mol
LogP4.95
Rot. Bonds6

About 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 5268621) has the molecular formula C30H34N2O5 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID5268621
Molecular FormulaC30H34N2O5
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC Name2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(C(C)(C)C)cc3)cc2c1
InChIInChI=1S/C30H34N2O5/c1-19-5-10-23-21(17-19)18-24(37-23)27(33)25-26(20-6-8-22(9-7-20)30(2,3)4)32(29(35)28(25)34)12-11-31-13-15-36-16-14-31/h5-10,17-18,26,34H,11-16H2,1-4H3
InChIKeyWKZAFFSBXSXOJR-UHFFFAOYSA-N
XLogP4.95
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-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-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 5268620
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4209092
4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 4864194
4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 5268690
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108719625
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108620847
2-(4-tert-butylphenyl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 108620722
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methyl-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 4865786
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one
CID 108719190
5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 74253295
1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 4864233
(2S)-4-hydroxy-2-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155611

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 5268621) is 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is Cc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(C(C)(C)C)cc3)cc2c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is WKZAFFSBXSXOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O5/c1-19-5-10-23-21(17-19)18-24(37-23)27(33)25-26(20-6-8-22(9-7-20)30(2,3)4)32(29(35)28(25)34)12-11-31-13-15-36-16-14-31/h5-10,17-18,26,34H,11-16H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 502.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 5268621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).