N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-(methylamino)acetamide

• ChemBase ID: 366747
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: c1(c2c(ccc1OC)cccc2)CCNC(=O)CNC
• Canonical SMILES: CNCC(=O)NCCc1c(OC)ccc2c1cccc2
• InChI: InChI=1S/C16H20N2O2/c1-17-11-16(19)18-10-9-14-13-6-4-3-5-12(13)7-8-15(14)20-2/h3-8,17H,9-11H2,1-2H3,(H,18,19)
• InChIKey: WKVCLMQRHYEGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-(methylamino)acetamide
• IUPAC Traditional name: N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-(methylamino)acetamide
• Synonyms: N-[2-(2-methoxy-1-naphthyl)ethyl]-2-(methylamino)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.703207
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4244041
• LogD (pH = 7.4): 0.13205186
• Log P: 1.5467781
• Molar Refractivity: 79.7779 cm^3
• Polarizability: 32.320507 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.76
• LOG S: -2.69
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6