N-(2-methoxy-5-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide

• ChemBase ID: 514231
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: c1(NC(=O)CNC2CCN(CC2)CCC)c(ccc(c1)C)OC
• Canonical SMILES: CCCN1CCC(CC1)NCC(=O)Nc1cc(C)ccc1OC
• InChI: InChI=1S/C18H29N3O2/c1-4-9-21-10-7-15(8-11-21)19-13-18(22)20-16-12-14(2)5-6-17(16)23-3/h5-6,12,15,19H,4,7-11,13H2,1-3H3,(H,20,22)
• InChIKey: KRHAVFYUVHWWRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
• IUPAC Traditional name: N-(2-methoxy-5-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
• Synonyms: N-(2-methoxy-5-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.027053
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.724732
• LogD (pH = 7.4): -0.56329656
• Log P: 1.9812933
• Molar Refractivity: 95.2834 cm^3
• Polarizability: 36.54879 Å^3
• Polar Surface Area: 53.6 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: 1.69
• LOG S: -2.98
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 7