methyl 2-(3,4-dimethylanilino)-2-oxoacetate

C11H13NO3 — CID 11557524

IUPACmethyl 2-(3,4-dimethylanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C11H13NO3/c1-7-4-5-9(6-8(7)2)12-10(13)11(14)15-3/h4-6H,1-3H3,(H,12,13)
InChIKeyGYHTWJJETAVUCQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.41
Rot. Bonds1

About methyl 2-(3,4-dimethylanilino)-2-oxoacetate

methyl 2-(3,4-dimethylanilino)-2-oxoacetate (PubChem CID 11557524) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-(3,4-dimethylanilino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethylanilino)-2-oxoacetate
PubChem CID11557524
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-(3,4-dimethylanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C11H13NO3/c1-7-4-5-9(6-8(7)2)12-10(13)11(14)15-3/h4-6H,1-3H3,(H,12,13)
InChIKeyGYHTWJJETAVUCQ-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
dimethyl 2,3-bis(3,4-dimethylanilino)but-2-enedioate
CID 71353836
tetradecyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 6423294
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide
CID 15592611
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
methyl 2-(3-bromo-4-iodoanilino)-2-oxoacetate
CID 130499995
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
methyl 2-[4-methyl-3-[4-(trifluoromethoxy)phenoxy]anilino]-2-oxoacetate
CID 59821012
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798924
methyl 2-(3-iodoanilino)-2-oxoacetate
CID 112683075

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethylanilino)-2-oxoacetate?
The IUPAC name of methyl 2-(3,4-dimethylanilino)-2-oxoacetate (CID 11557524) is methyl 2-(3,4-dimethylanilino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(3,4-dimethylanilino)-2-oxoacetate?
The canonical SMILES for methyl 2-(3,4-dimethylanilino)-2-oxoacetate is COC(=O)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of methyl 2-(3,4-dimethylanilino)-2-oxoacetate?
The InChIKey is GYHTWJJETAVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-5-9(6-8(7)2)12-10(13)11(14)15-3/h4-6H,1-3H3,(H,12,13).
What are the key properties of methyl 2-(3,4-dimethylanilino)-2-oxoacetate?
methyl 2-(3,4-dimethylanilino)-2-oxoacetate has a molecular weight of 207.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethylanilino)-2-oxoacetate is sourced from PubChem (CID 11557524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).