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

C27H27NO6 — CID 91808368

IUPAC1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCOCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1
InChIInChI=1S/C27H27NO6/c1-17(2)25(29)23-24(20-7-4-5-8-22(20)34-16-15-32-3)28(27(31)26(23)30)19-12-10-18(11-13-19)21-9-6-14-33-21/h4-14,17,23-24H,15-16H2,1-3H3
InChIKeyPLUXKLCJBWWQTI-UHFFFAOYSA-N
MW461.51 g/mol
LogP4.47
Rot. Bonds9

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

1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (PubChem CID 91808368) has the molecular formula C27H27NO6 and a molecular weight of 461.51 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
PubChem CID91808368
Molecular FormulaC27H27NO6
Molecular Weight461.51 g/mol
Exact Mass461.18
IUPAC Name1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione
SMILESCOCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1
InChIInChI=1S/C27H27NO6/c1-17(2)25(29)23-24(20-7-4-5-8-22(20)34-16-15-32-3)28(27(31)26(23)30)19-12-10-18(11-13-19)21-9-6-14-33-21/h4-14,17,23-24H,15-16H2,1-3H3
InChIKeyPLUXKLCJBWWQTI-UHFFFAOYSA-N
XLogP4.47
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione (CID 91808368) is 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1.
What is the InChIKey of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
The InChIKey is PLUXKLCJBWWQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO6/c1-17(2)25(29)23-24(20-7-4-5-8-22(20)34-16-15-32-3)28(27(31)26(23)30)19-12-10-18(11-13-19)21-9-6-14-33-21/h4-14,17,23-24H,15-16H2,1-3H3.
What are the key properties of 1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione?
1-[4-(furan-2-yl)phenyl]-5-[2-(2-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione has a molecular weight of 461.51 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 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-methoxyethoxy)phenyl]-4-(2-methylpropanoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91808368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).