5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide

C16H21N3O3 — CID 112761773

IUPAC5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2CCC(=O)N2)c(C)c1
InChIInChI=1S/C16H21N3O3/c1-9-6-10(2)15(11(3)7-9)19-14(21)8-17-16(22)12-4-5-13(20)18-12/h6-7,12H,4-5,8H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyAUTSPBPQYJSBBA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.95
Rot. Bonds4

About 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide

5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 112761773) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
PubChem CID112761773
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2CCC(=O)N2)c(C)c1
InChIInChI=1S/C16H21N3O3/c1-9-6-10(2)15(11(3)7-9)19-14(21)8-17-16(22)12-4-5-13(20)18-12/h6-7,12H,4-5,8H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyAUTSPBPQYJSBBA-UHFFFAOYSA-N
XLogP0.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 110795309
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119269157
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 25249643
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119269152
(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 120617822
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide (CID 112761773) is 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)C2CCC(=O)N2)c(C)c1.
What is the InChIKey of 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is AUTSPBPQYJSBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9-6-10(2)15(11(3)7-9)19-14(21)8-17-16(22)12-4-5-13(20)18-12/h6-7,12H,4-5,8H2,1-3H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide?
5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112761773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).