[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate

C16H23NO6 — CID 8709525

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H23NO6/c1-4-20-11-16(19)23-10-15(18)17-12-7-8-13(21-5-2)14(9-12)22-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,17,18)
InChIKeyQCNQAOQITSIYNI-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.00
Rot. Bonds10

About [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate (PubChem CID 8709525) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
PubChem CID8709525
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H23NO6/c1-4-20-11-16(19)23-10-15(18)17-12-7-8-13(21-5-2)14(9-12)22-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,17,18)
InChIKeyQCNQAOQITSIYNI-UHFFFAOYSA-N
XLogP2.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918544
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197601
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8759935
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
[2-(3,4-diethoxyanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673408
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 30034039
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate (CID 8709525) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is QCNQAOQITSIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-4-20-11-16(19)23-10-15(18)17-12-7-8-13(21-5-2)14(9-12)22-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,17,18).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 325.36 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 8709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).