N-[3-hydroxy-1-(4-methylphenyl)propyl]-3-(1-methylpiperidin-4-yl)propanamide

• ChemBase ID: 835281
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N(C(=O)CCC1CCN(CC1)C)C(c1ccc(cc1)C)CCO
• Canonical SMILES: OCCC(c1ccc(cc1)C)NC(=O)CCC1CCN(CC1)C
• InChI: InChI=1S/C19H30N2O2/c1-15-3-6-17(7-4-15)18(11-14-22)20-19(23)8-5-16-9-12-21(2)13-10-16/h3-4,6-7,16,18,22H,5,8-14H2,1-2H3,(H,20,23)
• InChIKey: RIETXXGVWIBESK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-hydroxy-1-(4-methylphenyl)propyl]-3-(1-methylpiperidin-4-yl)propanamide
• IUPAC Traditional name: N-[3-hydroxy-1-(4-methylphenyl)propyl]-3-(1-methylpiperidin-4-yl)propanamide
• Synonyms: N-[3-hydroxy-1-(4-methylphenyl)propyl]-3-(1-methylpiperidin-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.602907
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3891597
• LogD (pH = 7.4): -0.060487133
• Log P: 1.980703
• Molar Refractivity: 94.7467 cm^3
• Polarizability: 36.817333 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -3.19
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7