[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

C21H25NO6 — CID 71823067

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C21H25NO6/c1-4-26-18-11-10-15(12-19(18)27-5-2)13-21(24)28-14-20(23)22-16-8-6-7-9-17(16)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyJVHZQNRHNSTIOJ-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.22
Rot. Bonds10

About [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (PubChem CID 71823067) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
PubChem CID71823067
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C21H25NO6/c1-4-26-18-11-10-15(12-19(18)27-5-2)13-21(24)28-14-20(23)22-16-8-6-7-9-17(16)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyJVHZQNRHNSTIOJ-UHFFFAOYSA-N
XLogP3.22
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053
ethyl 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 71823049
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823043
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823024
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7959307
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367363
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71822991
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (CID 71823067) is [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2OC)cc1OCC.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The InChIKey is JVHZQNRHNSTIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-4-26-18-11-10-15(12-19(18)27-5-2)13-21(24)28-14-20(23)22-16-8-6-7-9-17(16)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate has a molecular weight of 387.43 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is sourced from PubChem (CID 71823067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).