[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate

C19H21NO7 — CID 2515970

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C19H21NO7/c1-23-12-8-9-14(24-2)13(10-12)20-17(21)11-27-19(22)18-15(25-3)6-5-7-16(18)26-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyQHFMDIOQGOEMRD-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.52
Rot. Bonds8

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2515970) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2515970
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C19H21NO7/c1-23-12-8-9-14(24-2)13(10-12)20-17(21)11-27-19(22)18-15(25-3)6-5-7-16(18)26-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyQHFMDIOQGOEMRD-UHFFFAOYSA-N
XLogP2.52
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2489330
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2632423
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146845

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2515970) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1ccc(OC)c(NC(=O)COC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is QHFMDIOQGOEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-23-12-8-9-14(24-2)13(10-12)20-17(21)11-27-19(22)18-15(25-3)6-5-7-16(18)26-4/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 375.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2515970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).