dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate

C20H20N2O6 — CID 108518763

IUPACdimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C20H20N2O6/c1-22(12-13-7-5-4-6-8-13)18(24)17(23)21-16-11-14(19(25)27-2)9-10-15(16)20(26)28-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyJVCZYVGYLIROJJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.86
Rot. Bonds5

About dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 108518763) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
PubChem CID108518763
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namedimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C20H20N2O6/c1-22(12-13-7-5-4-6-8-13)18(24)17(23)21-16-11-14(19(25)27-2)9-10-15(16)20(26)28-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyJVCZYVGYLIROJJ-UHFFFAOYSA-N
XLogP1.86
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[[benzyl(methyl)carbamothioyl]amino]benzene-1,4-dicarboxylate
CID 46506395
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
dimethyl 2-[[2-[4-(dimethylamino)anilino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108524421
dimethyl 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzene-1,4-dicarboxylate
CID 40720432
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
dimethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108524500
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276
dimethyl 2-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 108521058

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate (CID 108518763) is dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is JVCZYVGYLIROJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-22(12-13-7-5-4-6-8-13)18(24)17(23)21-16-11-14(19(25)27-2)9-10-15(16)20(26)28-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 384.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108518763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).