4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

C16H21N3O4 — CID 119132601

IUPAC4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(OCC(N)=O)cc2)C1=O
InChIInChI=1S/C16H21N3O4/c1-10(2)19-8-7-13(16(19)22)18-15(21)11-3-5-12(6-4-11)23-9-14(17)20/h3-6,10,13H,7-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyGNFRKQBIFPAMCD-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.29
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 119132601) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID119132601
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(OCC(N)=O)cc2)C1=O
InChIInChI=1S/C16H21N3O4/c1-10(2)19-8-7-13(16(19)22)18-15(21)11-3-5-12(6-4-11)23-9-14(17)20/h3-6,10,13H,7-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyGNFRKQBIFPAMCD-UHFFFAOYSA-N
XLogP0.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide 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 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 119132601) is 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is CC(C)N1CCC(NC(=O)c2ccc(OCC(N)=O)cc2)C1=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is GNFRKQBIFPAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10(2)19-8-7-13(16(19)22)18-15(21)11-3-5-12(6-4-11)23-9-14(17)20/h3-6,10,13H,7-9H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 119132601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).