[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

C19H18N2O5 — CID 7273984

IUPAC[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H18N2O5/c1-2-24-16-6-8-17(9-7-16)25-13-19(23)26-12-18(22)21-15-5-3-4-14(10-15)11-20/h3-10H,2,12-13H2,1H3,(H,21,22)
InChIKeyFZUWSYQTRBAOBZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.52
Rot. Bonds8

About [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 7273984) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID7273984
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H18N2O5/c1-2-24-16-6-8-17(9-7-16)25-13-19(23)26-12-18(22)21-15-5-3-4-14(10-15)11-20/h3-10H,2,12-13H2,1H3,(H,21,22)
InChIKeyFZUWSYQTRBAOBZ-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-ethoxyphenoxy)acetate
CID 9272266
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
[2-(4-ethoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626294
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 32952776

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (CID 7273984) is [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is FZUWSYQTRBAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-24-16-6-8-17(9-7-16)25-13-19(23)26-12-18(22)21-15-5-3-4-14(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-(4-ethoxyphenoxy)acetate?
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-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-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 7273984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).