2-{2-[3-(dimethylamino)phenyl]phenoxy}propanamide

• ChemBase ID: 435823
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: c1(OC(C(=O)N)C)c(c2cc(N(C)C)ccc2)cccc1
• Canonical SMILES: CC(C(=O)N)Oc1ccccc1c1cccc(c1)N(C)C
• InChI: InChI=1S/C17H20N2O2/c1-12(17(18)20)21-16-10-5-4-9-15(16)13-7-6-8-14(11-13)19(2)3/h4-12H,1-3H3,(H2,18,20)
• InChIKey: ASKHFZOFBRFVNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[3-(dimethylamino)phenyl]phenoxy}propanamide
• IUPAC Traditional name: 2-{2-[3-(dimethylamino)phenyl]phenoxy}propanamide
• Synonyms: 2-{[3'-(dimethylamino)biphenyl-2-yl]oxy}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.748769
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6703851
• LogD (pH = 7.4): 2.8085687
• Log P: 2.8106487
• Molar Refractivity: 84.4867 cm^3
• Polarizability: 33.53588 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.72
• LOG S: -3.6
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5