2-(3-{[(2-methoxyethyl)(1-methylpiperidin-4-yl)carbamoyl]amino}phenyl)acetamide

• ChemBase ID: 705303
• Molecular Formular: C18H28N4O3
• Molecular Mass: 348.43992
• Monoisotopic Mass: 348.21614078
• SMILES: C(=O)(N(C1CCN(CC1)C)CCOC)Nc1cc(CC(=O)N)ccc1
• Canonical SMILES: COCCN(C(=O)Nc1cccc(c1)CC(=O)N)C1CCN(CC1)C
• InChI: InChI=1S/C18H28N4O3/c1-21-8-6-16(7-9-21)22(10-11-25-2)18(24)20-15-5-3-4-14(12-15)13-17(19)23/h3-5,12,16H,6-11,13H2,1-2H3,(H2,19,23)(H,20,24)
• InChIKey: ZENFRHATFZZFCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-{[(2-methoxyethyl)(1-methylpiperidin-4-yl)carbamoyl]amino}phenyl)acetamide
• IUPAC Traditional name: 2-(3-{[(2-methoxyethyl)(1-methylpiperidin-4-yl)carbamoyl]amino}phenyl)acetamide
• Synonyms: 2-[3-({[(2-methoxyethyl)(1-methylpiperidin-4-yl)amino]carbonyl}amino)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.31464
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.685559
• LogD (pH = 7.4): -0.92457604
• Log P: 0.13539907
• Molar Refractivity: 99.0155 cm^3
• Polarizability: 37.465393 Å^3
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.18
• LOG S: -2.9
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 7