dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate

C19H20N2O5 — CID 46859737

IUPACdimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H20N2O5/c1-11-5-7-14(9-12(11)2)20-19(24)21-16-10-13(17(22)25-3)6-8-15(16)18(23)26-4/h5-10H,1-4H3,(H2,20,21,24)
InChIKeyWIIBGDJJMITIMT-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.52
Rot. Bonds4

About dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate

dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate (PubChem CID 46859737) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
PubChem CID46859737
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namedimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H20N2O5/c1-11-5-7-14(9-12(11)2)20-19(24)21-16-10-13(17(22)25-3)6-8-15(16)18(23)26-4/h5-10H,1-4H3,(H2,20,21,24)
InChIKeyWIIBGDJJMITIMT-UHFFFAOYSA-N
XLogP3.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108866342
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
dimethyl 2-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872211
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325
dimethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate
CID 7456509
dimethyl 2-(3-oxobutylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108895118
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
dimethyl 2-(naphthalen-1-ylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108884661
dimethyl 2-[(5-bromofuran-2-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872954
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate (CID 46859737) is dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The InChIKey is WIIBGDJJMITIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-11-5-7-14(9-12(11)2)20-19(24)21-16-10-13(17(22)25-3)6-8-15(16)18(23)26-4/h5-10H,1-4H3,(H2,20,21,24).
What are the key properties of dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate has a molecular weight of 356.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 46859737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).