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

C29H32N2O5 — CID 5268620

IUPAC4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(C(C)C)cc3)cc2c1
InChIInChI=1S/C29H32N2O5/c1-18(2)20-5-7-21(8-6-20)26-25(27(32)24-17-22-16-19(3)4-9-23(22)36-24)28(33)29(34)31(26)11-10-30-12-14-35-15-13-30/h4-9,16-18,26,33H,10-15H2,1-3H3
InChIKeyFYNUBHWLIBHQBO-UHFFFAOYSA-N
MW488.58 g/mol
LogP4.78
Rot. Bonds7

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

4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 5268620) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID5268620
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(C(C)C)cc3)cc2c1
InChIInChI=1S/C29H32N2O5/c1-18(2)20-5-7-21(8-6-20)26-25(27(32)24-17-22-16-19(3)4-9-23(22)36-24)28(33)29(34)31(26)11-10-30-12-14-35-15-13-30/h4-9,16-18,26,33H,10-15H2,1-3H3
InChIKeyFYNUBHWLIBHQBO-UHFFFAOYSA-N
XLogP4.78
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 5268621
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)-4-hydroxy-1-pentyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108644090
3-(5-bromo-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643836
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643768
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 3319401
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 30469550
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methyl-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 4865786
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-propan-2-yloxyethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108601956
1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 4864233

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 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) is 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is Cc1ccc2oc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(C(C)C)cc3)cc2c1.
What is the InChIKey of 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is FYNUBHWLIBHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-18(2)20-5-7-21(8-6-20)26-25(27(32)24-17-22-16-19(3)4-9-23(22)36-24)28(33)29(34)31(26)11-10-30-12-14-35-15-13-30/h4-9,16-18,26,33H,10-15H2,1-3H3.
What are the key properties of 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 488.58 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 5268620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).