[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate

C18H19NO7 — CID 23883804

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
SMILESCOc1cc(NC(=O)COC(=O)COc2ccccc2O)cc(OC)c1
InChIInChI=1S/C18H19NO7/c1-23-13-7-12(8-14(9-13)24-2)19-17(21)10-26-18(22)11-25-16-6-4-3-5-15(16)20/h3-9,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyFDDFXTFBTXWESD-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.97
Rot. Bonds8

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate (PubChem CID 23883804) has the molecular formula C18H19NO7 and a molecular weight of 361.35 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
PubChem CID23883804
Molecular FormulaC18H19NO7
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
SMILESCOc1cc(NC(=O)COC(=O)COc2ccccc2O)cc(OC)c1
InChIInChI=1S/C18H19NO7/c1-23-13-7-12(8-14(9-13)24-2)19-17(21)10-26-18(22)11-25-16-6-4-3-5-15(16)20/h3-9,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyFDDFXTFBTXWESD-UHFFFAOYSA-N
XLogP1.97
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate
CID 42965974
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791207
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate (CID 23883804) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate is COc1cc(NC(=O)COC(=O)COc2ccccc2O)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
The InChIKey is FDDFXTFBTXWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7/c1-23-13-7-12(8-14(9-13)24-2)19-17(21)10-26-18(22)11-25-16-6-4-3-5-15(16)20/h3-9,20H,10-11H2,1-2H3,(H,19,21).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate has a molecular weight of 361.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate is sourced from PubChem (CID 23883804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).