N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide

C13H16N2O2 — CID 58716032

IUPACN-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C#N)cc1O
InChIInChI=1S/C13H16N2O2/c1-4-13(2,3)12(17)15-10-6-5-9(8-14)7-11(10)16/h5-7,16H,4H2,1-3H3,(H,15,17)
InChIKeyCPQFDFRWLKYQBM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.64
Rot. Bonds3

About N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide

N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide (PubChem CID 58716032) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide
PubChem CID58716032
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C#N)cc1O
InChIInChI=1S/C13H16N2O2/c1-4-13(2,3)12(17)15-10-6-5-9(8-14)7-11(10)16/h5-7,16H,4H2,1-3H3,(H,15,17)
InChIKeyCPQFDFRWLKYQBM-UHFFFAOYSA-N
XLogP2.64
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
ethyl 2-(4-cyano-2-hydroxyanilino)-2-oxoacetate
CID 154157486
N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
3-hydroxy-4-[[2-(2-methylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]benzonitrile
CID 18937427
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
3-hydroxy-4-(2-methylbutan-2-yl)benzonitrile
CID 154951803
N-(2-bromo-4-cyanophenyl)-2-cyano-2-propylpentanamide
CID 107790774
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide (CID 58716032) is N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C#N)cc1O.
What is the InChIKey of N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide?
The InChIKey is CPQFDFRWLKYQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-13(2,3)12(17)15-10-6-5-9(8-14)7-11(10)16/h5-7,16H,4H2,1-3H3,(H,15,17).
What are the key properties of N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide?
N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide has a molecular weight of 232.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 58716032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).