ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate

C20H20N2O4 — CID 110428312

IUPACethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-2-26-20(25)15-10-6-7-11-16(15)21-19(24)17-12-13-18(23)22(17)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,24)
InChIKeyKBXJQUQPXPYMES-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate

ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate (PubChem CID 110428312) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
PubChem CID110428312
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-2-26-20(25)15-10-6-7-11-16(15)21-19(24)17-12-13-18(23)22(17)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,24)
InChIKeyKBXJQUQPXPYMES-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
ethyl 2-(propanoylamino)benzoate
CID 4190428
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetyl]amino]benzoate
CID 90542475
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374182
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate (CID 110428312) is ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate?
The InChIKey is KBXJQUQPXPYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-26-20(25)15-10-6-7-11-16(15)21-19(24)17-12-13-18(23)22(17)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,24).
What are the key properties of ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate?
ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110428312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).