2-cyano-2-methyl-N-(4-methylpentyl)butanamide

C12H22N2O — CID 114291478

IUPAC2-cyano-2-methyl-N-(4-methylpentyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCCCC(C)C
InChIInChI=1S/C12H22N2O/c1-5-12(4,9-13)11(15)14-8-6-7-10(2)3/h10H,5-8H2,1-4H3,(H,14,15)
InChIKeyNLWYXTSFFKWWIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.48
Rot. Bonds6

About 2-cyano-2-methyl-N-(4-methylpentyl)butanamide

2-cyano-2-methyl-N-(4-methylpentyl)butanamide (PubChem CID 114291478) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(4-methylpentyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(4-methylpentyl)butanamide
PubChem CID114291478
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-cyano-2-methyl-N-(4-methylpentyl)butanamide
SMILESCCC(C)(C#N)C(=O)NCCCC(C)C
InChIInChI=1S/C12H22N2O/c1-5-12(4,9-13)11(15)14-8-6-7-10(2)3/h10H,5-8H2,1-4H3,(H,14,15)
InChIKeyNLWYXTSFFKWWIW-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
CID 114175317
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
2-cyano-2-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 114290928
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 113270427
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(4-methylpentyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(4-methylpentyl)butanamide (CID 114291478) is 2-cyano-2-methyl-N-(4-methylpentyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(4-methylpentyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(4-methylpentyl)butanamide is CCC(C)(C#N)C(=O)NCCCC(C)C.
What is the InChIKey of 2-cyano-2-methyl-N-(4-methylpentyl)butanamide?
The InChIKey is NLWYXTSFFKWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-12(4,9-13)11(15)14-8-6-7-10(2)3/h10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-cyano-2-methyl-N-(4-methylpentyl)butanamide?
2-cyano-2-methyl-N-(4-methylpentyl)butanamide has a molecular weight of 210.32 g/mol, XLogP of 2.48, 6 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-(4-methylpentyl)butanamide is sourced from PubChem (CID 114291478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).