N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide

C13H16N2O2 — CID 113372748

IUPACN-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide
SMILESCC(C)(C#N)CNC(=O)C(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-13(2,8-14)9-15-12(17)11(16)10-6-4-3-5-7-10/h3-7,11,16H,9H2,1-2H3,(H,15,17)
InChIKeyCAGJHSBBEPQZAH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.39
Rot. Bonds4

About N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide

N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide (PubChem CID 113372748) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide
PubChem CID113372748
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide
SMILESCC(C)(C#N)CNC(=O)C(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-13(2,8-14)9-15-12(17)11(16)10-6-4-3-5-7-10/h3-7,11,16H,9H2,1-2H3,(H,15,17)
InChIKeyCAGJHSBBEPQZAH-UHFFFAOYSA-N
XLogP1.39
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
CID 107168333
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
(2S)-2-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]butanoic acid
CID 107834936
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281
(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
CID 107833828
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide (CID 113372748) is N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide is CC(C)(C#N)CNC(=O)C(O)c1ccccc1.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is CAGJHSBBEPQZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,8-14)9-15-12(17)11(16)10-6-4-3-5-7-10/h3-7,11,16H,9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide?
N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 113372748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).