3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide

C19H20N2O2 — CID 16567569

IUPAC3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C19H20N2O2/c1-14-9-15(2)11-18(10-14)23-8-7-21(3)19(22)17-6-4-5-16(12-17)13-20/h4-6,9-12H,7-8H2,1-3H3
InChIKeyWSGPBYAEYDKLCN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.33
Rot. Bonds5

About 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide

3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide (PubChem CID 16567569) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
PubChem CID16567569
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C19H20N2O2/c1-14-9-15(2)11-18(10-14)23-8-7-21(3)19(22)17-6-4-5-16(12-17)13-20/h4-6,9-12H,7-8H2,1-3H3
InChIKeyWSGPBYAEYDKLCN-UHFFFAOYSA-N
XLogP3.33
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 26995436
N-[2-(2-chloroethoxy)ethyl]-3-cyano-N-methylbenzamide
CID 114242732
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 26995438
(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide
CID 95908666
N-(2-chloropropyl)-3-cyano-N-methylbenzamide
CID 63393862

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide (CID 16567569) is 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is WSGPBYAEYDKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-9-15(2)11-18(10-14)23-8-7-21(3)19(22)17-6-4-5-16(12-17)13-20/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide?
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 16567569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).