2-(morpholin-2-yl)-N-{2-[3-(propan-2-yloxy)phenyl]ethyl}acetamide

• ChemBase ID: 317656
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(CC1OCCNC1)NCCc1cc(OC(C)C)ccc1
• Canonical SMILES: O=C(CC1CNCCO1)NCCc1cccc(c1)OC(C)C
• InChI: InChI=1S/C17H26N2O3/c1-13(2)22-15-5-3-4-14(10-15)6-7-19-17(20)11-16-12-18-8-9-21-16/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3,(H,19,20)
• InChIKey: FATHMSKXAYADFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-2-yl)-N-{2-[3-(propan-2-yloxy)phenyl]ethyl}acetamide
• IUPAC Traditional name: N-[2-(3-isopropoxyphenyl)ethyl]-2-(morpholin-2-yl)acetamide
• Synonyms: N-[2-(3-isopropoxyphenyl)ethyl]-2-morpholin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.777272
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.357737
• LogD (pH = 7.4): 0.33109114
• Log P: 1.4089637
• Molar Refractivity: 85.9392 cm^3
• Polarizability: 33.957603 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.81
• LOG S: -2.13
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7