2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide

C17H16N2O2 — CID 65471325

IUPAC2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-8-14(10-18)9-13(2)17(12)21-11-16(20)19-15-6-4-3-5-7-15/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyFENQHPYXTWLREY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide

2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide (PubChem CID 65471325) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
PubChem CID65471325
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-8-14(10-18)9-13(2)17(12)21-11-16(20)19-15-6-4-3-5-7-15/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyFENQHPYXTWLREY-UHFFFAOYSA-N
XLogP3.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
3,5-dimethyl-4-(2-oxo-3-phenylpropoxy)benzonitrile
CID 65470229
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide (CID 65471325) is 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide is Cc1cc(C#N)cc(C)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide?
The InChIKey is FENQHPYXTWLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-14(10-18)9-13(2)17(12)21-11-16(20)19-15-6-4-3-5-7-15/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide?
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide has a molecular weight of 280.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 65471325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).