N-[3-(2-methoxyphenoxy)propyl]-N-methylmorpholine-2-carboxamide

• ChemBase ID: 660126
• Molecular Formular: C16H24N2O4
• Molecular Mass: 308.37276
• Monoisotopic Mass: 308.17360726
• SMILES: C(=O)(C1OCCNC1)N(CCCOc1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1OCCCN(C(=O)C1CNCCO1)C
• InChI: InChI=1S/C16H24N2O4/c1-18(16(19)15-12-17-8-11-22-15)9-5-10-21-14-7-4-3-6-13(14)20-2/h3-4,6-7,15,17H,5,8-12H2,1-2H3
• InChIKey: FDNFYHQUCIZOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenoxy)propyl]-N-methylmorpholine-2-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxyphenoxy)propyl]-N-methylmorpholine-2-carboxamide
• Synonyms: N-[3-(2-methoxyphenoxy)propyl]-N-methylmorpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.020708
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7280324
• LogD (pH = 7.4): -0.031637747
• Log P: 0.46530828
• Molar Refractivity: 83.0942 cm^3
• Polarizability: 32.81206 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.24
• LOG S: -2.96
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7