Metabolite 3-Hydroxymonoethylglycinexylidide
- Name
- 3-Hydroxymonoethylglycinexylidide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 222.2835
Monoisotopic: 222.13682783 - Chemical Formula
- C12H18N2O2
- InChI Key
- YITCMQBVWIHTTA-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)
- IUPAC Name
- 2-(ethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
- SMILES
- CCNCC(=O)NC1=C(C)C=CC(O)=C1C
- Reactions
- Lidocaine 3-hydroxylidocaine
- 3-hydroxylidocaine 3-Hydroxymonoethylglycinexylidide
- Lidocaine monoethylglycinexylidide
- monoethylglycinexylidide 3-Hydroxymonoethylglycinexylidide
- monoethylglycinexylidide 2,6-Dimethylaniline (2,6-Xylidine)
- monoethylglycinexylidide Glycinexylidide (GX)
- Glycinexylidide (GX) 2,6-Dimethylaniline (2,6-Xylidine)
- Lidocaine 3-hydroxylidocaine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 161.451756 predictedDarkChem Lite v0.1.0 [M-H]- 161.707356 predictedDarkChem Lite v0.1.0 [M-H]- 152.15692 predictedDeepCCS 1.0 (2019) [M+H]+ 163.280056 predictedDarkChem Lite v0.1.0 [M+H]+ 163.258856 predictedDarkChem Lite v0.1.0 [M+H]+ 154.51492 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.936356 predictedDarkChem Lite v0.1.0 [M+Na]+ 162.249556 predictedDarkChem Lite v0.1.0 [M+Na]+ 161.21376 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060678
- KEGG Compound
- C16572
- ChemSpider
- 2283781
- ChEBI
- 80575
- ZINC
- ZINC000030731121
- Predicted Properties
Property Value Source Water Solubility 0.406 mg/mL ALOGPS logP 1.04 ALOGPS logP 1.63 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 10.05 Chemaxon pKa (Strongest Basic) 8.55 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 61.36 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 65.87 m3·mol-1 Chemaxon Polarizability 24.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon