[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate

C20H23NO5 — CID 7558698

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)Nc2ccccc2CC)ccc1OC
InChIInChI=1S/C20H23NO5/c1-4-14-8-6-7-9-16(14)21-19(22)13-26-20(23)15-10-11-17(24-3)18(12-15)25-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyBUDPZAYDAZWVIR-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.45
Rot. Bonds8

About [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate

[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate (PubChem CID 7558698) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
PubChem CID7558698
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)Nc2ccccc2CC)ccc1OC
InChIInChI=1S/C20H23NO5/c1-4-14-8-6-7-9-16(14)21-19(22)13-26-20(23)15-10-11-17(24-3)18(12-15)25-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyBUDPZAYDAZWVIR-UHFFFAOYSA-N
XLogP3.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592276
[2-(2-nitroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558731
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811923
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903793
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903222
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903768
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558697
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate (CID 7558698) is [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCC(=O)Nc2ccccc2CC)ccc1OC.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
The InChIKey is BUDPZAYDAZWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-14-8-6-7-9-16(14)21-19(22)13-26-20(23)15-10-11-17(24-3)18(12-15)25-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7558698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).