N3-[2-(4-ethoxyphenyl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 599780
• Molecular Formular: C19H29N3O3
• Molecular Mass: 347.45186
• Monoisotopic Mass: 347.2208918
• SMILES: C(=O)(N1CC(C(=O)NCCc2ccc(cc2)OCC)CCC1)N(C)C
• Canonical SMILES: CCOc1ccc(cc1)CCNC(=O)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C19H29N3O3/c1-4-25-17-9-7-15(8-10-17)11-12-20-18(23)16-6-5-13-22(14-16)19(24)21(2)3/h7-10,16H,4-6,11-14H2,1-3H3,(H,20,23)
• InChIKey: XGUXHZAQUNEFPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(4-ethoxyphenyl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(4-ethoxyphenyl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(4-ethoxyphenyl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.746671
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3888928
• LogD (pH = 7.4): 1.388893
• Log P: 1.388893
• Molar Refractivity: 98.2556 cm^3
• Polarizability: 37.773453 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.08
• LOG S: -3.51
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6