[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C13H14N2O4 — CID 9274874

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESCN(C)C(=O)COC(=O)COc1ccccc1C#N
InChIInChI=1S/C13H14N2O4/c1-15(2)12(16)8-19-13(17)9-18-11-6-4-3-5-10(11)7-14/h3-6H,8-9H2,1-2H3
InChIKeyJTEZLPXAHNTQMQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.57
Rot. Bonds5

About [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9274874) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9274874
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESCN(C)C(=O)COC(=O)COc1ccccc1C#N
InChIInChI=1S/C13H14N2O4/c1-15(2)12(16)8-19-13(17)9-18-11-6-4-3-5-10(11)7-14/h3-6H,8-9H2,1-2H3
InChIKeyJTEZLPXAHNTQMQ-UHFFFAOYSA-N
XLogP0.57
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317876
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-(4-bromophenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 3316882
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate
CID 9318151
[2-(dimethylamino)-2-oxoethyl] 2-cyanobenzoate
CID 177386647
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 23826491
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274969

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 9274874) is [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is CN(C)C(=O)COC(=O)COc1ccccc1C#N.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is JTEZLPXAHNTQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15(2)12(16)8-19-13(17)9-18-11-6-4-3-5-10(11)7-14/h3-6H,8-9H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 262.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9274874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).