[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C19H21NO4 — CID 2556286

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C19H21NO4/c1-13-5-4-6-14(2)19(13)20-17(21)12-24-18(22)11-15-7-9-16(23-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyZOHZUXQFPKJSOY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2556286) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2556286
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C19H21NO4/c1-13-5-4-6-14(2)19(13)20-17(21)12-24-18(22)11-15-7-9-16(23-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyZOHZUXQFPKJSOY-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556032
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2097657
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655103
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705057

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2556286) is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is ZOHZUXQFPKJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-5-4-6-14(2)19(13)20-17(21)12-24-18(22)11-15-7-9-16(23-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 327.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).