N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide

C12H14N2O2 — CID 155930374

IUPACN-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
SMILESCCC(C)(O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H14N2O2/c1-3-12(2,16)11(15)14-10-7-5-4-6-9(10)8-13/h4-7,16H,3H2,1-2H3,(H,14,15)
InChIKeyCBXUMERLZYQFMN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.66
Rot. Bonds3

About N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide

N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide (PubChem CID 155930374) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
PubChem CID155930374
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
SMILESCCC(C)(O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H14N2O2/c1-3-12(2,16)11(15)14-10-7-5-4-6-9(10)8-13/h4-7,16H,3H2,1-2H3,(H,14,15)
InChIKeyCBXUMERLZYQFMN-UHFFFAOYSA-N
XLogP1.66
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
(2-cyanophenyl)urea
CID 13155570
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962648
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959798
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
1-(2-cyanophenyl)-3-pentan-3-ylurea
CID 108888228
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide?
The IUPAC name of N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide (CID 155930374) is N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide is CCC(C)(O)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide?
The InChIKey is CBXUMERLZYQFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-12(2,16)11(15)14-10-7-5-4-6-9(10)8-13/h4-7,16H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide?
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide has a molecular weight of 218.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide is sourced from PubChem (CID 155930374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).