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

C18H18N2O6 — CID 108866342

IUPACdimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H18N2O6/c1-24-13-7-5-12(6-8-13)19-18(23)20-15-10-11(16(21)25-2)4-9-14(15)17(22)26-3/h4-10H,1-3H3,(H2,19,20,23)
InChIKeyONOFPHINCJEJKU-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.91
Rot. Bonds5

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

dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate (PubChem CID 108866342) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
PubChem CID108866342
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namedimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H18N2O6/c1-24-13-7-5-12(6-8-13)19-18(23)20-15-10-11(16(21)25-2)4-9-14(15)17(22)26-3/h4-10H,1-3H3,(H2,19,20,23)
InChIKeyONOFPHINCJEJKU-UHFFFAOYSA-N
XLogP2.91
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 46859737
dimethyl 2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate
CID 43885209
1,3-bis(4-methoxyphenyl)urea
CID 139045428
dimethyl 2-[[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]amino]benzene-1,4-dicarboxylate
CID 108828530
dimethyl 2-(naphthalen-1-ylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108884661
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325
dimethyl 2-[[2-[4-(dimethylamino)anilino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108524421
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079
dimethyl 2-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872211
dimethyl 2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309062
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
dimethyl 2-[(5-bromofuran-2-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872954

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate (CID 108866342) is dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The InChIKey is ONOFPHINCJEJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-13-7-5-12(6-8-13)19-18(23)20-15-10-11(16(21)25-2)4-9-14(15)17(22)26-3/h4-10H,1-3H3,(H2,19,20,23).
What are the key properties of dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate has a molecular weight of 358.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108866342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).