[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

C19H18N2O5 — CID 9272266

IUPAC[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O5/c1-2-24-16-8-3-4-9-17(16)25-13-19(23)26-12-18(22)21-15-7-5-6-14(10-15)11-20/h3-10H,2,12-13H2,1H3,(H,21,22)
InChIKeyDSDAKGWBSRKFDF-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.52
Rot. Bonds8

About [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 9272266) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
PubChem CID9272266
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O5/c1-2-24-16-8-3-4-9-17(16)25-13-19(23)26-12-18(22)21-15-7-5-6-14(10-15)11-20/h3-10H,2,12-13H2,1H3,(H,21,22)
InChIKeyDSDAKGWBSRKFDF-UHFFFAOYSA-N
XLogP2.52
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9355977
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272250
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (CID 9272266) is [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is DSDAKGWBSRKFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-24-16-8-3-4-9-17(16)25-13-19(23)26-12-18(22)21-15-7-5-6-14(10-15)11-20/h3-10H,2,12-13H2,1H3,(H,21,22).
What are the key properties of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 354.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 9272266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).