2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide

C15H18N2O3 — CID 139335049

IUPAC2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-2-16-15(20)14(19)12-8-9-13(18)17(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyCCZDURLOFKOSEQ-GFCCVEGCSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds5

About 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide (PubChem CID 139335049) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
PubChem CID139335049
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-2-16-15(20)14(19)12-8-9-13(18)17(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyCCZDURLOFKOSEQ-GFCCVEGCSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
CID 139329088
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(5-methyl-4-oxohexyl)-2-oxoacetamide
CID 157240893
tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
CID 139329154
3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
CID 134349828
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-[1-(cyclobutanecarbonyl)azetidin-3-yl]-2-oxoacetamide
CID 134349368

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide?
The IUPAC name of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide (CID 139335049) is 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide.
What is the SMILES notation for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide?
The canonical SMILES for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide is CCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide?
The InChIKey is CCZDURLOFKOSEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-16-15(20)14(19)12-8-9-13(18)17(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide?
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 139335049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).