2-cyano-2-methyl-N-(2-methylbutyl)butanamide

C11H20N2O — CID 114291439

IUPAC2-cyano-2-methyl-N-(2-methylbutyl)butanamide
SMILESCCC(C)CNC(=O)C(C)(C#N)CC
InChIInChI=1S/C11H20N2O/c1-5-9(3)7-13-10(14)11(4,6-2)8-12/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyDRGYTWHQFLVZOX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.09
Rot. Bonds5

About 2-cyano-2-methyl-N-(2-methylbutyl)butanamide

2-cyano-2-methyl-N-(2-methylbutyl)butanamide (PubChem CID 114291439) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-methylbutyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-methylbutyl)butanamide
PubChem CID114291439
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyano-2-methyl-N-(2-methylbutyl)butanamide
SMILESCCC(C)CNC(=O)C(C)(C#N)CC
InChIInChI=1S/C11H20N2O/c1-5-9(3)7-13-10(14)11(4,6-2)8-12/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyDRGYTWHQFLVZOX-UHFFFAOYSA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 113270427
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
CID 114175317
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
2-amino-2-cyclopropyl-N-(2-methylbutyl)propanamide
CID 62694160
[(2S)-2-methylbutyl]carbamic acid
CID 147069594

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(2-methylbutyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-methylbutyl)butanamide (CID 114291439) is 2-cyano-2-methyl-N-(2-methylbutyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-methylbutyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-methylbutyl)butanamide is CCC(C)CNC(=O)C(C)(C#N)CC.
What is the InChIKey of 2-cyano-2-methyl-N-(2-methylbutyl)butanamide?
The InChIKey is DRGYTWHQFLVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(3)7-13-10(14)11(4,6-2)8-12/h9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-(2-methylbutyl)butanamide?
2-cyano-2-methyl-N-(2-methylbutyl)butanamide has a molecular weight of 196.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-methylbutyl)butanamide is sourced from PubChem (CID 114291439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).