N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide

• ChemBase ID: 781700
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: C(=O)(N1CC(NCC1)c1ccccc1)Nc1c(OCCOC)cccc1
• Canonical SMILES: COCCOc1ccccc1NC(=O)N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C20H25N3O3/c1-25-13-14-26-19-10-6-5-9-17(19)22-20(24)23-12-11-21-18(15-23)16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3,(H,22,24)
• InChIKey: YBEKGAAJLYTJOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
• IUPAC Traditional name: N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
• Synonyms: N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.861507
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6651108
• LogD (pH = 7.4): 2.1532607
• Log P: 2.3684278
• Molar Refractivity: 101.936 cm^3
• Polarizability: 39.14999 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.59
• LOG S: -3.15
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 6