ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate

C12H15NO5 — CID 3494164

IUPACethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C12H15NO5/c1-4-18-12(15)11(14)13-9-7-8(16-2)5-6-10(9)17-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeySHYSRMYJEHNUIV-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.21
Rot. Bonds4

About ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate

ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate (PubChem CID 3494164) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
PubChem CID3494164
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Nameethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C12H15NO5/c1-4-18-12(15)11(14)13-9-7-8(16-2)5-6-10(9)17-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeySHYSRMYJEHNUIV-UHFFFAOYSA-N
XLogP1.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
ethyl 2-[(3-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-oxoacetate
CID 12557671
ethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17064269
tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 174759761
ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
CID 115141832
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate (CID 3494164) is ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
The InChIKey is SHYSRMYJEHNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-4-18-12(15)11(14)13-9-7-8(16-2)5-6-10(9)17-3/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate has a molecular weight of 253.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate is sourced from PubChem (CID 3494164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).