[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate

C20H20N2O4 — CID 35545565

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)Oc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-14(23)21-16-6-4-15(5-7-16)13-20(25)26-18-10-8-17(9-11-18)22-12-2-3-19(22)24/h4-11H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyTXWDTQNULUNXSX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.92
Rot. Bonds5

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate (PubChem CID 35545565) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
PubChem CID35545565
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)Oc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-14(23)21-16-6-4-15(5-7-16)13-20(25)26-18-10-8-17(9-11-18)22-12-2-3-19(22)24/h4-11H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyTXWDTQNULUNXSX-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate (CID 35545565) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)Oc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is TXWDTQNULUNXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14(23)21-16-6-4-15(5-7-16)13-20(25)26-18-10-8-17(9-11-18)22-12-2-3-19(22)24/h4-11H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 352.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 35545565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).