2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

C13H16N2O2 — CID 107857017

IUPAC2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESCC(C)(C)ONC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-15-12(16)11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,15,16)
InChIKeyMBHAWSQXXYDWBZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.14
Rot. Bonds3

About 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (PubChem CID 107857017) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
PubChem CID107857017
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESCC(C)(C)ONC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-15-12(16)11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,15,16)
InChIKeyMBHAWSQXXYDWBZ-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylacetamide
CID 107853090
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
methyl 2-[(2-cyano-2-phenylacetyl)amino]-4-methylpentanoate
CID 62877206
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
CID 114387927

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (CID 107857017) is 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is CC(C)(C)ONC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The InChIKey is MBHAWSQXXYDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)17-15-12(16)11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,15,16).
What are the key properties of 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide has a molecular weight of 232.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is sourced from PubChem (CID 107857017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).