methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate

C19H22N2O4 — CID 2955298

IUPACmethyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H22N2O4/c1-4-25-15-11-9-14(10-12-15)13(2)20-19(23)21-17-8-6-5-7-16(17)18(22)24-3/h5-13H,4H2,1-3H3,(H2,20,21,23)
InChIKeyINIBLUKMOQOUIN-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.75
Rot. Bonds6

About methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate

methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate (PubChem CID 2955298) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
PubChem CID2955298
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H22N2O4/c1-4-25-15-11-9-14(10-12-15)13(2)20-19(23)21-17-8-6-5-7-16(17)18(22)24-3/h5-13H,4H2,1-3H3,(H2,20,21,23)
InChIKeyINIBLUKMOQOUIN-UHFFFAOYSA-N
XLogP3.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate (CID 2955298) is methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate is CCOc1ccc(C(C)NC(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is INIBLUKMOQOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-25-15-11-9-14(10-12-15)13(2)20-19(23)21-17-8-6-5-7-16(17)18(22)24-3/h5-13H,4H2,1-3H3,(H2,20,21,23).
What are the key properties of methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 2955298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).