N'1-[2-(3-phenylpropoxy)phenyl]cyclopropane-1,1-dicarboxamide

• ChemBase ID: 722124
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: C1(C(=O)Nc2c(OCCCc3ccccc3)cccc2)(CC1)C(=O)N
• Canonical SMILES: O=C(C1(CC1)C(=O)N)Nc1ccccc1OCCCc1ccccc1
• InChI: InChI=1S/C20H22N2O3/c21-18(23)20(12-13-20)19(24)22-16-10-4-5-11-17(16)25-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H2,21,23)(H,22,24)
• InChIKey: GUQFCKILSFHKOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-[2-(3-phenylpropoxy)phenyl]cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-[2-(3-phenylpropoxy)phenyl]cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-[2-(3-phenylpropoxy)phenyl]cyclopropane-1,1-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.9981
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2315483
• LogD (pH = 7.4): 3.231538
• Log P: 3.2315483
• Molar Refractivity: 96.7924 cm^3
• Polarizability: 36.931534 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.16
• LOG S: -3.51
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 8