dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate

C18H18N2O6 — CID 4637490

IUPACdimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccccc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C18H18N2O6/c1-24-15-7-5-4-6-14(15)20-18(23)19-13-9-11(16(21)25-2)8-12(10-13)17(22)26-3/h4-10H,1-3H3,(H2,19,20,23)
InChIKeyOUGGWDUMQALPIK-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.91
Rot. Bonds5

About dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate (PubChem CID 4637490) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
PubChem CID4637490
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Namedimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccccc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C18H18N2O6/c1-24-15-7-5-4-6-14(15)20-18(23)19-13-9-11(16(21)25-2)8-12(10-13)17(22)26-3/h4-10H,1-3H3,(H2,19,20,23)
InChIKeyOUGGWDUMQALPIK-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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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate (CID 4637490) is dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)Nc2ccccc2OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
The InChIKey is OUGGWDUMQALPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-15-7-5-4-6-14(15)20-18(23)19-13-9-11(16(21)25-2)8-12(10-13)17(22)26-3/h4-10H,1-3H3,(H2,19,20,23).
What are the key properties of dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-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 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 4637490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).