2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide

C13H21N3O2 — CID 113406233

IUPAC2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
SMILESCCC(C#N)(CC)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2,10-14)12(18)15-9-11(17)16-7-5-6-8-16/h3-9H2,1-2H3,(H,15,18)
InChIKeyCAYYXCBKTPBTDA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds5

About 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide

2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 113406233) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
PubChem CID113406233
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
SMILESCCC(C#N)(CC)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2,10-14)12(18)15-9-11(17)16-7-5-6-8-16/h3-9H2,1-2H3,(H,15,18)
InChIKeyCAYYXCBKTPBTDA-UHFFFAOYSA-N
XLogP1.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide
CID 83015893
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
CID 107164042
2-ethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]butanoic acid
CID 115576468
N-[2-(azetidin-1-yl)-2-oxoethyl]acetamide
CID 121325487
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide (CID 113406233) is 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide is CCC(C#N)(CC)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is CAYYXCBKTPBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(4-2,10-14)12(18)15-9-11(17)16-7-5-6-8-16/h3-9H2,1-2H3,(H,15,18).
What are the key properties of 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 113406233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).