dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate

C20H20N2O6 — CID 108905856

IUPACdimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)N/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C20H20N2O6/c1-26-15-6-4-5-13(11-15)9-10-21-20(25)22-17-12-14(18(23)27-2)7-8-16(17)19(24)28-3/h4-12H,1-3H3,(H2,21,22,25)/b10-9+
InChIKeyUBPWZHHPHXDFNA-MDZDMXLPSA-N
MW384.39 g/mol
LogP3.06
Rot. Bonds6

About dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate

dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate (PubChem CID 108905856) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
PubChem CID108905856
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namedimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)N/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C20H20N2O6/c1-26-15-6-4-5-13(11-15)9-10-21-20(25)22-17-12-14(18(23)27-2)7-8-16(17)19(24)28-3/h4-12H,1-3H3,(H2,21,22,25)/b10-9+
InChIKeyUBPWZHHPHXDFNA-MDZDMXLPSA-N
XLogP3.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108905985
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108866342
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905913
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108905776

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate (CID 108905856) is dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)N/C=C/c2cccc(OC)c2)c1.
What is the InChIKey of dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate?
The InChIKey is UBPWZHHPHXDFNA-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-26-15-6-4-5-13(11-15)9-10-21-20(25)22-17-12-14(18(23)27-2)7-8-16(17)19(24)28-3/h4-12H,1-3H3,(H2,21,22,25)/b10-9+.
What are the key properties of dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate?
dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate has a molecular weight of 384.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108905856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).