methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate

C18H20N2O6 — CID 17374900

IUPACmethyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20N2O6/c1-23-14-9-11(10-15(24-2)16(14)25-3)19-18(22)20-13-8-6-5-7-12(13)17(21)26-4/h5-10H,1-4H3,(H2,19,20,22)
InChIKeyDMZODEAJXDOCLG-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.14
Rot. Bonds6

About methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate

methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate (PubChem CID 17374900) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
PubChem CID17374900
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20N2O6/c1-23-14-9-11(10-15(24-2)16(14)25-3)19-18(22)20-13-8-6-5-7-12(13)17(21)26-4/h5-10H,1-4H3,(H2,19,20,22)
InChIKeyDMZODEAJXDOCLG-UHFFFAOYSA-N
XLogP3.14
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
CID 108866717
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate (CID 17374900) is methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate?
The InChIKey is DMZODEAJXDOCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-23-14-9-11(10-15(24-2)16(14)25-3)19-18(22)20-13-8-6-5-7-12(13)17(21)26-4/h5-10H,1-4H3,(H2,19,20,22).
What are the key properties of methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate?
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate has a molecular weight of 360.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 17374900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).