4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione

C24H24N2O6 — CID 91896461

IUPAC4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1cc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O
InChIInChI=1S/C24H24N2O6/c1-25(2)10-11-26-21(15-8-9-16(27)18(13-15)31-3)20(23(29)24(26)30)22(28)19-12-14-6-4-5-7-17(14)32-19/h4-9,12-13,20-21,27H,10-11H2,1-3H3
InChIKeySQILESUIDPJLIL-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.66
Rot. Bonds7

About 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione

4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 91896461) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
PubChem CID91896461
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1cc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O
InChIInChI=1S/C24H24N2O6/c1-25(2)10-11-26-21(15-8-9-16(27)18(13-15)31-3)20(23(29)24(26)30)22(28)19-12-14-6-4-5-7-17(14)32-19/h4-9,12-13,20-21,27H,10-11H2,1-3H3
InChIKeySQILESUIDPJLIL-UHFFFAOYSA-N
XLogP2.66
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
CID 44510473
4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91896717
4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 91897632
1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 4115572
3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 3719655
(2R)-3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 28662166
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 3487299
5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4757739
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 661074
3-(1-benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 5187315
1-[2-(dimethylamino)ethyl]-4-(3-methyl-4-phenylmethoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91897254
(2R)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 35043314

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione (CID 91896461) is 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione is COc1cc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)ccc1O.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is SQILESUIDPJLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-25(2)10-11-26-21(15-8-9-16(27)18(13-15)31-3)20(23(29)24(26)30)22(28)19-12-14-6-4-5-7-17(14)32-19/h4-9,12-13,20-21,27H,10-11H2,1-3H3.
What are the key properties of 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione?
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 436.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91896461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).