1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione

C26H25NO6 — CID 91808362

IUPAC1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1ccccc1OCCO
InChIInChI=1S/C26H25NO6/c1-16(2)24(29)22-23(19-6-3-4-7-21(19)33-15-13-28)27(26(31)25(22)30)18-11-9-17(10-12-18)20-8-5-14-32-20/h3-12,14,16,22-23,28H,13,15H2,1-2H3
InChIKeyGNYSVKCVQFKSEQ-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.82
Rot. Bonds8

About 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione

1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (PubChem CID 91808362) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
PubChem CID91808362
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1ccccc1OCCO
InChIInChI=1S/C26H25NO6/c1-16(2)24(29)22-23(19-6-3-4-7-21(19)33-15-13-28)27(26(31)25(22)30)18-11-9-17(10-12-18)20-8-5-14-32-20/h3-12,14,16,22-23,28H,13,15H2,1-2H3
InChIKeyGNYSVKCVQFKSEQ-UHFFFAOYSA-N
XLogP3.82
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (CID 91808362) is 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1ccccc1OCCO.
What is the InChIKey of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The InChIKey is GNYSVKCVQFKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-16(2)24(29)22-23(19-6-3-4-7-21(19)33-15-13-28)27(26(31)25(22)30)18-11-9-17(10-12-18)20-8-5-14-32-20/h3-12,14,16,22-23,28H,13,15H2,1-2H3.
What are the key properties of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione has a molecular weight of 447.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)phenyl]-5-[2-(2-hydroxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91808362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).