4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

C26H26N2O5 — CID 91897632

IUPAC4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C26H26N2O5/c1-17-6-8-18(9-7-17)23-22(24(29)21-16-19-4-2-3-5-20(19)33-21)25(30)26(31)28(23)11-10-27-12-14-32-15-13-27/h2-9,16,22-23H,10-15H2,1H3
InChIKeySQUNAVUFMAQNAX-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.02
Rot. Bonds6

About 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (PubChem CID 91897632) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
PubChem CID91897632
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C26H26N2O5/c1-17-6-8-18(9-7-17)23-22(24(29)21-16-19-4-2-3-5-20(19)33-21)25(30)26(31)28(23)11-10-27-12-14-32-15-13-27/h2-9,16,22-23H,10-15H2,1H3
InChIKeySQUNAVUFMAQNAX-UHFFFAOYSA-N
XLogP3.02
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-methoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4756578
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4209092
4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91896717
4-benzoyl-5-(4-ethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4753569
4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 4751059
4-(furan-2-carbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 4756283
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 91896461
5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 4756623
5-(4-fluorophenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4757692
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
5-(2,4-dimethoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4751062
5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4757739

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (CID 91897632) is 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The InChIKey is SQUNAVUFMAQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-17-6-8-18(9-7-17)23-22(24(29)21-16-19-4-2-3-5-20(19)33-21)25(30)26(31)28(23)11-10-27-12-14-32-15-13-27/h2-9,16,22-23H,10-15H2,1H3.
What are the key properties of 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione has a molecular weight of 446.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91897632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).