N-[3-(2-fluorophenyl)propyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 851547
• Molecular Formular: C18H27FN2O2
• Molecular Mass: 322.4175832
• Monoisotopic Mass: 322.20565633
• SMILES: N1(CC(CC(=O)NCCCc2c(F)cccc2)OCC1)C(C)C
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCCCc1ccccc1F
• InChI: InChI=1S/C18H27FN2O2/c1-14(2)21-10-11-23-16(13-21)12-18(22)20-9-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,14,16H,5,7,9-13H2,1-2H3,(H,20,22)
• InChIKey: HEJKQBNCMVQLPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-[3-(2-fluorophenyl)propyl]-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.286064
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46375415
• LogD (pH = 7.4): 2.1332347
• Log P: 2.5369534
• Molar Refractivity: 89.5881 cm^3
• Polarizability: 34.78217 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: 2.15
• LOG S: -3.39
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7