2-(methylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

• ChemBase ID: 841460
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: N(C(=O)CNC)C(c1cc2c(cc1)CCCC2)C
• Canonical SMILES: CNCC(=O)NC(c1ccc2c(c1)CCCC2)C
• InChI: InChI=1S/C15H22N2O/c1-11(17-15(18)10-16-2)13-8-7-12-5-3-4-6-14(12)9-13/h7-9,11,16H,3-6,10H2,1-2H3,(H,17,18)
• InChIKey: BYUUKMXAXDECEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(methylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• Synonyms: N~2~-methyl-N~1~-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.813566
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6756456
• LogD (pH = 7.4): 0.8812227
• Log P: 2.2951407
• Molar Refractivity: 74.0105 cm^3
• Polarizability: 28.75649 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.11
• LOG S: -2.8
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4