(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate

C21H21NO4 — CID 2387359

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21NO4/c1-15-8-10-16(11-9-15)20(24)17-6-2-3-7-18(17)21(25)26-14-19(23)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyZZHKGNNREHEESL-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.01
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate (PubChem CID 2387359) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate
PubChem CID2387359
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21NO4/c1-15-8-10-16(11-9-15)20(24)17-6-2-3-7-18(17)21(25)26-14-19(23)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3
InChIKeyZZHKGNNREHEESL-UHFFFAOYSA-N
XLogP3.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate (CID 2387359) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate?
The InChIKey is ZZHKGNNREHEESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15-8-10-16(11-9-15)20(24)17-6-2-3-7-18(17)21(25)26-14-19(23)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate has a molecular weight of 351.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2387359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).