N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-2-methyl-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 773391
• Molecular Formular: C24H30FNO3
• Molecular Mass: 399.4983032
• Monoisotopic Mass: 399.22097205
• SMILES: N(C(=O)C(C)C)(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: O=C(N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1)C(C)C
• InChI: InChI=1S/C24H30FNO3/c1-18(2)24(27)26(17-22-10-6-13-28-22)16-19-7-5-9-21(15-19)29-14-12-20-8-3-4-11-23(20)25/h3-5,7-9,11,15,18,22H,6,10,12-14,16-17H2,1-2H3
• InChIKey: GGWSSBXZBKIXRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-2-methyl-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8018126
• LogD (pH = 7.4): 4.801813
• Log P: 4.801813
• Molar Refractivity: 112.3752 cm^3
• Polarizability: 43.44108 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.87
• LOG S: -5.19
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8