N-methyl-N-[1-(naphthalen-2-yl)ethyl]-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 579915
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: N(C(=O)CCc1nccnc1)(C(c1cc2c(cc1)cccc2)C)C
• Canonical SMILES: O=C(N(C(c1ccc2c(c1)cccc2)C)C)CCc1cnccn1
• InChI: InChI=1S/C20H21N3O/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)23(2)20(24)10-9-19-14-21-11-12-22-19/h3-8,11-15H,9-10H2,1-2H3
• InChIKey: AFOWOVCWGXXQES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(naphthalen-2-yl)ethyl]-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[1-(naphthalen-2-yl)ethyl]-3-(pyrazin-2-yl)propanamide
• Synonyms: N-methyl-N-[1-(2-naphthyl)ethyl]-3-pyrazin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2650638
• LogD (pH = 7.4): 2.2650683
• Log P: 2.2650683
• Molar Refractivity: 94.3262 cm^3
• Polarizability: 37.93319 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -3.52
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 5