N-(3-acetamido-4-methoxyphenyl)-4-ethoxypiperidine-1-carboxamide

• ChemBase ID: 392882
• Molecular Formular: C17H25N3O4
• Molecular Mass: 335.3981
• Monoisotopic Mass: 335.1845063
• SMILES: C(=O)(N1CCC(CC1)OCC)Nc1cc(NC(=O)C)c(cc1)OC
• Canonical SMILES: CCOC1CCN(CC1)C(=O)Nc1ccc(c(c1)NC(=O)C)OC
• InChI: InChI=1S/C17H25N3O4/c1-4-24-14-7-9-20(10-8-14)17(22)19-13-5-6-16(23-3)15(11-13)18-12(2)21/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)(H,19,22)
• InChIKey: WKBFFEMZLAGGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetamido-4-methoxyphenyl)-4-ethoxypiperidine-1-carboxamide
• IUPAC Traditional name: N-(3-acetamido-4-methoxyphenyl)-4-ethoxypiperidine-1-carboxamide
• Synonyms: N-[3-(acetylamino)-4-methoxyphenyl]-4-ethoxypiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.411109
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7227959
• LogD (pH = 7.4): 0.7227919
• Log P: 0.72279596
• Molar Refractivity: 93.9414 cm^3
• Polarizability: 34.791534 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.87
• LOG S: -2.39
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5