2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide

C17H16N2O2 — CID 8744068

IUPAC2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1C
InChIInChI=1S/C17H16N2O2/c1-12-3-6-15(9-13(12)2)19-17(20)11-21-16-7-4-14(10-18)5-8-16/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyJUEROEFQQJLJLQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide

2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 8744068) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
PubChem CID8744068
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1C
InChIInChI=1S/C17H16N2O2/c1-12-3-6-15(9-13(12)2)19-17(20)11-21-16-7-4-14(10-18)5-8-16/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyJUEROEFQQJLJLQ-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-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923798
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842786
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide (CID 8744068) is 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1C.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is JUEROEFQQJLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-3-6-15(9-13(12)2)19-17(20)11-21-16-7-4-14(10-18)5-8-16/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide?
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide 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-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).