1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C25H23NO5 — CID 4611776

IUPAC1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,22,28H,3,15H2,1-2H3
InChIKeyWSIAWOBYHGAOIR-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.77
Rot. Bonds7

About 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 4611776) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID4611776
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,22,28H,3,15H2,1-2H3
InChIKeyWSIAWOBYHGAOIR-UHFFFAOYSA-N
XLogP4.77
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 4611776) is 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is WSIAWOBYHGAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,22,28H,3,15H2,1-2H3.
What are the key properties of 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 417.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4611776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).