[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate

C17H22N2O4 — CID 7686879

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-17(2,3)16(22)23-11-14(20)18-12-6-4-7-13(10-12)19-9-5-8-15(19)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyJWMOEUQCSJJEEY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.34
Rot. Bonds4

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate (PubChem CID 7686879) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
PubChem CID7686879
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-17(2,3)16(22)23-11-14(20)18-12-6-4-7-13(10-12)19-9-5-8-15(19)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyJWMOEUQCSJJEEY-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
CID 24567250
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729283
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604753
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998740
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate (CID 7686879) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate?
The InChIKey is JWMOEUQCSJJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2,3)16(22)23-11-14(20)18-12-6-4-7-13(10-12)19-9-5-8-15(19)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate has a molecular weight of 318.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 7686879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).