N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide

C17H16N2O2 — CID 103714251

IUPACN-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C17H16N2O2/c1-12-5-3-6-13(2)16(12)17(20)19-14-7-4-8-15(11-14)21-10-9-18/h3-8,11H,10H2,1-2H3,(H,19,20)
InChIKeyBJRSHIXOIIKGQV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.46
Rot. Bonds4

About N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide

N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide (PubChem CID 103714251) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
PubChem CID103714251
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C17H16N2O2/c1-12-5-3-6-13(2)16(12)17(20)19-14-7-4-8-15(11-14)21-10-9-18/h3-8,11H,10H2,1-2H3,(H,19,20)
InChIKeyBJRSHIXOIIKGQV-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276278
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
[3-(cyanomethoxy)phenyl]urea
CID 43369607
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 55752004
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide (CID 103714251) is N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide?
The InChIKey is BJRSHIXOIIKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-5-3-6-13(2)16(12)17(20)19-14-7-4-8-15(11-14)21-10-9-18/h3-8,11H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide?
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 103714251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).