3-(hydroxymethyl)-N-(2-methoxy-5-phenylphenyl)morpholine-4-carboxamide

• ChemBase ID: 647393
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: C(=O)(N1C(COCC1)CO)Nc1cc(ccc1OC)c1ccccc1
• Canonical SMILES: OCC1COCCN1C(=O)Nc1cc(ccc1OC)c1ccccc1
• InChI: InChI=1S/C19H22N2O4/c1-24-18-8-7-15(14-5-3-2-4-6-14)11-17(18)20-19(23)21-9-10-25-13-16(21)12-22/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,20,23)
• InChIKey: OCWTWCJKMGXWOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hydroxymethyl)-N-(2-methoxy-5-phenylphenyl)morpholine-4-carboxamide
• IUPAC Traditional name: 3-(hydroxymethyl)-N-(2-methoxy-5-phenylphenyl)morpholine-4-carboxamide
• Synonyms: 3-(hydroxymethyl)-N-(4-methoxybiphenyl-3-yl)morpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.75919
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9654813
• LogD (pH = 7.4): 1.9654634
• Log P: 1.9654815
• Molar Refractivity: 96.0275 cm^3
• Polarizability: 37.748947 Å^3
• Polar Surface Area: 71.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.18
• LOG S: -2.7
• Polar Surface Area: 71.03 Å^2
• Rotatable Bonds: 4