2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide

C19H20N2O2 — CID 9227961

IUPAC2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
SMILESCc1ccc(CN(C)C(=O)COc2ccccc2C#N)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-14-8-9-17(15(2)10-14)12-21(3)19(22)13-23-18-7-5-4-6-16(18)11-20/h4-10H,12-13H2,1-3H3
InChIKeyUGBGPHMXUFDNJB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide

2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide (PubChem CID 9227961) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
PubChem CID9227961
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
SMILESCc1ccc(CN(C)C(=O)COc2ccccc2C#N)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-14-8-9-17(15(2)10-14)12-21(3)19(22)13-23-18-7-5-4-6-16(18)11-20/h4-10H,12-13H2,1-3H3
InChIKeyUGBGPHMXUFDNJB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317876
2-(4-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8864519
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014357
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812
(2,4,6-trimethylphenyl) 2-(2-cyanophenoxy)acetate
CID 8915413

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide (CID 9227961) is 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide is Cc1ccc(CN(C)C(=O)COc2ccccc2C#N)c(C)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
The InChIKey is UGBGPHMXUFDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-8-9-17(15(2)10-14)12-21(3)19(22)13-23-18-7-5-4-6-16(18)11-20/h4-10H,12-13H2,1-3H3.
What are the key properties of 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 9227961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).