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

C17H24N2O6 — CID 7197601

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
SMILESCCOc1ccc(NC(=O)COC(=O)CCNC(C)=O)cc1OCC
InChIInChI=1S/C17H24N2O6/c1-4-23-14-7-6-13(10-15(14)24-5-2)19-16(21)11-25-17(22)8-9-18-12(3)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDKYILWOEYABEDZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.49
Rot. Bonds10

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

[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate (PubChem CID 7197601) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
PubChem CID7197601
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
SMILESCCOc1ccc(NC(=O)COC(=O)CCNC(C)=O)cc1OCC
InChIInChI=1S/C17H24N2O6/c1-4-23-14-7-6-13(10-15(14)24-5-2)19-16(21)11-25-17(22)8-9-18-12(3)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDKYILWOEYABEDZ-UHFFFAOYSA-N
XLogP1.49
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30029948
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4842334
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918544
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8759935
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 18282994
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(3-fluoroanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197279
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate (CID 7197601) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate is CCOc1ccc(NC(=O)COC(=O)CCNC(C)=O)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate?
The InChIKey is DKYILWOEYABEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-4-23-14-7-6-13(10-15(14)24-5-2)19-16(21)11-25-17(22)8-9-18-12(3)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate has a molecular weight of 352.39 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate is sourced from PubChem (CID 7197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).