N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide

C17H16N2O2 — CID 926866

IUPACN-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N2O2/c1-12-6-13(2)8-16(7-12)21-11-17(20)19-15-5-3-4-14(9-15)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyAEXIMCHBNAYPDY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.19
Rot. Bonds4

About N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide

N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 926866) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID926866
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N2O2/c1-12-6-13(2)8-16(7-12)21-11-17(20)19-15-5-3-4-14(9-15)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyAEXIMCHBNAYPDY-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

N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide (CID 926866) is N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is AEXIMCHBNAYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-13(2)8-16(7-12)21-11-17(20)19-15-5-3-4-14(9-15)10-18/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(3-cyanophenyl)-2-(3,5-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-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 926866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).