dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate

C14H18N2O5 — CID 17376207

IUPACdimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CN(C)C)cc(C(=O)OC)c1
InChIInChI=1S/C14H18N2O5/c1-16(2)8-12(17)15-11-6-9(13(18)20-3)5-10(7-11)14(19)21-4/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyJNKNKEDJHYKTLJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.76
Rot. Bonds5

About dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 17376207) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID17376207
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namedimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CN(C)C)cc(C(=O)OC)c1
InChIInChI=1S/C14H18N2O5/c1-16(2)8-12(17)15-11-6-9(13(18)20-3)5-10(7-11)14(19)21-4/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyJNKNKEDJHYKTLJ-UHFFFAOYSA-N
XLogP0.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-[[5-[3,5-bis(methoxycarbonyl)anilino]-5-oxopentanoyl]amino]benzene-1,3-dicarboxylate
CID 4100677
dimethyl 5-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]benzene-1,3-dicarboxylate
CID 27218385
dimethyl 5-(3-methylbutanoylamino)benzene-1,3-dicarboxylate
CID 694694
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
dimethyl 5-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 9045702
dimethyl 5-[[2-(azocan-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 8583512
dimethyl 5-(3-aminobutanoylamino)benzene-1,3-dicarboxylate
CID 61254635
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
dimethyl 5-[[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,3-dicarboxylate
CID 30276302
dimethyl 5-(nonanoylamino)benzene-1,3-dicarboxylate
CID 3527514
dimethyl 5-[[2-(2-methylpropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7782389
dimethyl 5-(undecanoylamino)benzene-1,3-dicarboxylate
CID 3567810

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate (CID 17376207) is dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)CN(C)C)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is JNKNKEDJHYKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-16(2)8-12(17)15-11-6-9(13(18)20-3)5-10(7-11)14(19)21-4/h5-7H,8H2,1-4H3,(H,15,17).
What are the key properties of dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 17376207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).