N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide

C17H16N2O2 — CID 876328

IUPACN-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C#N)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-12-7-8-16(13(2)9-12)21-11-17(20)19-15-6-4-3-5-14(15)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyANXWOUDKWFSVOE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.19
Rot. Bonds4

About N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide

N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 876328) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID876328
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C#N)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-12-7-8-16(13(2)9-12)21-11-17(20)19-15-6-4-3-5-14(15)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyANXWOUDKWFSVOE-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

Analyze N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854041
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
CID 2203067
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 876328) is N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccccc2C#N)c(C)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is ANXWOUDKWFSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-8-16(13(2)9-12)21-11-17(20)19-15-6-4-3-5-14(15)10-18/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)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 N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 876328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).