methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate

C18H20N2O3 — CID 108899743

IUPACmethyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)NCCc2ccccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-5-3-4-6-14(13)11-12-19-18(22)20-16-9-7-15(8-10-16)17(21)23-2/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyVZKRMYJQGXMYKZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.15
Rot. Bonds5

About methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate

methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate (PubChem CID 108899743) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
PubChem CID108899743
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)NCCc2ccccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-5-3-4-6-14(13)11-12-19-18(22)20-16-9-7-15(8-10-16)17(21)23-2/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyVZKRMYJQGXMYKZ-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108899665
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
[4-[2-(2-methylphenyl)ethylcarbamoylamino]phenyl] thiocyanate
CID 108899741
methyl 4-[(2-bromophenyl)methylcarbamoylamino]benzoate
CID 108897938
methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
CID 36776245
methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874981
methyl 4-(cyanomethylcarbamoylamino)benzoate
CID 108864803
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate (CID 108899743) is methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)NCCc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is VZKRMYJQGXMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-3-4-6-14(13)11-12-19-18(22)20-16-9-7-15(8-10-16)17(21)23-2/h3-10H,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate?
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 108899743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).