2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide

C13H24N2O — CID 103461706

IUPAC2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C#N)(CC)CC
InChIInChI=1S/C13H24N2O/c1-6-12(4,5)10-15-11(16)13(7-2,8-3)9-14/h6-8,10H2,1-5H3,(H,15,16)
InChIKeyPBBVSKLADDAXJA-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.87
Rot. Bonds6

About 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide

2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide (PubChem CID 103461706) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
PubChem CID103461706
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C#N)(CC)CC
InChIInChI=1S/C13H24N2O/c1-6-12(4,5)10-15-11(16)13(7-2,8-3)9-14/h6-8,10H2,1-5H3,(H,15,16)
InChIKeyPBBVSKLADDAXJA-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
CID 114167359
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 113406233
ethyl 4-[(2-cyano-2-ethylbutanoyl)amino]butanoate
CID 64576196
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
2-cyano-2-ethylbutanamide
CID 29227
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
CID 107164042

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide (CID 103461706) is 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide is CCC(C)(C)CNC(=O)C(C#N)(CC)CC.
What is the InChIKey of 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide?
The InChIKey is PBBVSKLADDAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-12(4,5)10-15-11(16)13(7-2,8-3)9-14/h6-8,10H2,1-5H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide?
2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide is sourced from PubChem (CID 103461706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).