potassium 2-(diethylcarbamoyl)benzoate

C12H14KNO3 — CID 135085837

IUPACpotassium 2-(diethylcarbamoyl)benzoate
SMILESCCN(CC)C(=O)c1ccccc1C(=O)[O-].[K+]
InChIInChI=1S/C12H15NO3.K/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16;/h5-8H,3-4H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyXARLXOGSAWZQPD-UHFFFAOYSA-M
MW259.35 g/mol
LogP-2.46
Rot. Bonds4

About potassium 2-(diethylcarbamoyl)benzoate

potassium 2-(diethylcarbamoyl)benzoate (PubChem CID 135085837) has the molecular formula C12H14KNO3 and a molecular weight of 259.35 g/mol. Its IUPAC name is potassium 2-(diethylcarbamoyl)benzoate.

Molecular Properties

Compound Namepotassium 2-(diethylcarbamoyl)benzoate
PubChem CID135085837
Molecular FormulaC12H14KNO3
Molecular Weight259.35 g/mol
Exact Mass259.06
IUPAC Namepotassium 2-(diethylcarbamoyl)benzoate
SMILESCCN(CC)C(=O)c1ccccc1C(=O)[O-].[K+]
InChIInChI=1S/C12H15NO3.K/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16;/h5-8H,3-4H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyXARLXOGSAWZQPD-UHFFFAOYSA-M
XLogP-2.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze potassium 2-(diethylcarbamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 2-(diethylcarbamoyl)benzoate?
The IUPAC name of potassium 2-(diethylcarbamoyl)benzoate (CID 135085837) is potassium 2-(diethylcarbamoyl)benzoate.
What is the SMILES notation for potassium 2-(diethylcarbamoyl)benzoate?
The canonical SMILES for potassium 2-(diethylcarbamoyl)benzoate is CCN(CC)C(=O)c1ccccc1C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(diethylcarbamoyl)benzoate?
The InChIKey is XARLXOGSAWZQPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO3.K/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16;/h5-8H,3-4H2,1-2H3,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 2-(diethylcarbamoyl)benzoate?
potassium 2-(diethylcarbamoyl)benzoate has a molecular weight of 259.35 g/mol, XLogP of -2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(diethylcarbamoyl)benzoate is sourced from PubChem (CID 135085837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).