N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 651651

IUPACN-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1
InChIInChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-15(18)19)16(20)17-14-7-11(3)5-6-12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyRNEPFZRKBUQQBJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds3

About N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 651651) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID651651
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1
InChIInChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-15(18)19)16(20)17-14-7-11(3)5-6-12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20)
InChIKeyRNEPFZRKBUQQBJ-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide 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

1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
N-(2,5-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 47052058
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
1-(4-acetamidophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120050
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
(3S)-N-(2,4-dibromophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1284893
N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 47052070
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056326
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55607249

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 651651) is N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RNEPFZRKBUQQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)18-9-13(8-15(18)19)16(20)17-14-7-11(3)5-6-12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 651651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).