N-[3-(2-methoxyphenyl)propyl]-2-(1-methylpiperidin-2-yl)acetamide

• ChemBase ID: 388284
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: C(C1N(C)CCCC1)C(=O)NCCCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CCCNC(=O)CC1CCCCN1C
• InChI: InChI=1S/C18H28N2O2/c1-20-13-6-5-10-16(20)14-18(21)19-12-7-9-15-8-3-4-11-17(15)22-2/h3-4,8,11,16H,5-7,9-10,12-14H2,1-2H3,(H,19,21)
• InChIKey: JMGDYQBRZOPLMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenyl)propyl]-2-(1-methylpiperidin-2-yl)acetamide
• IUPAC Traditional name: N-[3-(2-methoxyphenyl)propyl]-2-(1-methylpiperidin-2-yl)acetamide
• Synonyms: N-[3-(2-methoxyphenyl)propyl]-2-(1-methylpiperidin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.978819
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8413443
• LogD (pH = 7.4): 0.47774112
• Log P: 2.532064
• Molar Refractivity: 89.735 cm^3
• Polarizability: 35.111237 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.49
• LOG S: -3.55
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7