ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate

C13H17NO5 — CID 115141832

IUPACethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H17NO5/c1-5-19-13(16)12(15)14-9-7-10(17-3)8(2)6-11(9)18-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyQFEPYSSWGMCGBR-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate

ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate (PubChem CID 115141832) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
PubChem CID115141832
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H17NO5/c1-5-19-13(16)12(15)14-9-7-10(17-3)8(2)6-11(9)18-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyQFEPYSSWGMCGBR-UHFFFAOYSA-N
XLogP1.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.51
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-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
CID 115141968
N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
ethyl 2-[(3-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-oxoacetate
CID 12557671
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate (CID 115141832) is ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(OC)c(C)cc1OC.
What is the InChIKey of ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate?
The InChIKey is QFEPYSSWGMCGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-5-19-13(16)12(15)14-9-7-10(17-3)8(2)6-11(9)18-4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate?
ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate has a molecular weight of 267.28 g/mol, XLogP of 1.51, 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-dimethoxy-4-methylanilino)-2-oxoacetate is sourced from PubChem (CID 115141832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).