[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate

C20H23NO6 — CID 8672049

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccc(O)cc2)cc1OCC
InChIInChI=1S/C20H23NO6/c1-3-25-17-10-7-15(12-18(17)26-4-2)21-19(23)13-27-20(24)11-14-5-8-16(22)9-6-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyZQDAYAVXYIJPBC-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.91
Rot. Bonds9

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

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8672049) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
PubChem CID8672049
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccc(O)cc2)cc1OCC
InChIInChI=1S/C20H23NO6/c1-3-25-17-10-7-15(12-18(17)26-4-2)21-19(23)13-27-20(24)11-14-5-8-16(22)9-6-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyZQDAYAVXYIJPBC-UHFFFAOYSA-N
XLogP2.91
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[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] 2-ethoxyacetate
CID 8709525
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71822991
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 993572
[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671933
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197601
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823043
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate (CID 8672049) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate is CCOc1ccc(NC(=O)COC(=O)Cc2ccc(O)cc2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is ZQDAYAVXYIJPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-25-17-10-7-15(12-18(17)26-4-2)21-19(23)13-27-20(24)11-14-5-8-16(22)9-6-14/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 373.41 g/mol, XLogP of 2.91, 9 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] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8672049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).