N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide

C16H22N2O2 — CID 106319127

IUPACN,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CC(=O)c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-12-6-4-5-7-13(12)14(19)10-18-9-8-16(2,11-18)15(20)17-3/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyGJTVHUQRRQKUEH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.64
Rot. Bonds4

About N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide (PubChem CID 106319127) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
PubChem CID106319127
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CC(=O)c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-12-6-4-5-7-13(12)14(19)10-18-9-8-16(2,11-18)15(20)17-3/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyGJTVHUQRRQKUEH-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319161
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151899
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319121
ethyl 4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxobutanoate
CID 114172924
N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904
1-[(4-cyano-2-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150947
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880
2-fluoro-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318976
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide (CID 106319127) is N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(CC(=O)c2ccccc2C)C1.
What is the InChIKey of N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide?
The InChIKey is GJTVHUQRRQKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-6-4-5-7-13(12)14(19)10-18-9-8-16(2,11-18)15(20)17-3/h4-7H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106319127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).