methyl 2-(ethylcarbamoylamino)benzoate

C11H14N2O3 — CID 728318

IUPACmethyl 2-(ethylcarbamoylamino)benzoate
SMILESCCNC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C11H14N2O3/c1-3-12-11(15)13-9-7-5-4-6-8(9)10(14)16-2/h4-7H,3H2,1-2H3,(H2,12,13,15)
InChIKeyVWPWXGRJCZPYMR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.61
Rot. Bonds3

About methyl 2-(ethylcarbamoylamino)benzoate

methyl 2-(ethylcarbamoylamino)benzoate (PubChem CID 728318) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)benzoate
PubChem CID728318
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-(ethylcarbamoylamino)benzoate
SMILESCCNC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C11H14N2O3/c1-3-12-11(15)13-9-7-5-4-6-8(9)10(14)16-2/h4-7H,3H2,1-2H3,(H2,12,13,15)
InChIKeyVWPWXGRJCZPYMR-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)benzoate (CID 728318) is methyl 2-(ethylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)benzoate is CCNC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)benzoate?
The InChIKey is VWPWXGRJCZPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-12-11(15)13-9-7-5-4-6-8(9)10(14)16-2/h4-7H,3H2,1-2H3,(H2,12,13,15).
What are the key properties of methyl 2-(ethylcarbamoylamino)benzoate?
methyl 2-(ethylcarbamoylamino)benzoate has a molecular weight of 222.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)benzoate is sourced from PubChem (CID 728318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).