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

C19H18N2O5 — CID 9317763

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1ccccc1C#N
InChIInChI=1S/C19H18N2O5/c1-2-24-17-10-6-4-8-15(17)21-18(22)12-26-19(23)13-25-16-9-5-3-7-14(16)11-20/h3-10H,2,12-13H2,1H3,(H,21,22)
InChIKeyPUVJRYIOHFNZQN-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.52
Rot. Bonds8

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

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9317763) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9317763
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1ccccc1C#N
InChIInChI=1S/C19H18N2O5/c1-2-24-17-10-6-4-8-15(17)21-18(22)12-26-19(23)13-25-16-9-5-3-7-14(16)11-20/h3-10H,2,12-13H2,1H3,(H,21,22)
InChIKeyPUVJRYIOHFNZQN-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-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317702
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903860
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272250
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 9317763) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is CCOc1ccccc1NC(=O)COC(=O)COc1ccccc1C#N.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is PUVJRYIOHFNZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-24-17-10-6-4-8-15(17)21-18(22)12-26-19(23)13-25-16-9-5-3-7-14(16)11-20/h3-10H,2,12-13H2,1H3,(H,21,22).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)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-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9317763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).