N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-propanamidopropanamide

• ChemBase ID: 777234
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: C(=O)(C(NC(=O)CC)C)N(CCCOc1ccc(cc1)OC)C
• Canonical SMILES: CCC(=O)NC(C(=O)N(CCCOc1ccc(cc1)OC)C)C
• InChI: InChI=1S/C17H26N2O4/c1-5-16(20)18-13(2)17(21)19(3)11-6-12-23-15-9-7-14(22-4)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,20)
• InChIKey: VJJMRAAXARSZNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-propanamidopropanamide
• IUPAC Traditional name: N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-propanamidopropanamide
• Synonyms: N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-(propionylamino)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.687491
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1274186
• LogD (pH = 7.4): 1.1274167
• Log P: 1.1274188
• Molar Refractivity: 88.0644 cm^3
• Polarizability: 34.370747 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.37
• LOG S: -3.57
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9