N-cyclopropyl-N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-4-phenylbenzamide

• ChemBase ID: 370328
• Molecular Formular: C28H29NO3
• Molecular Mass: 427.53476
• Monoisotopic Mass: 427.21474379
• SMILES: N(C(=O)c1ccc(cc1)c1ccccc1)(C1CC1)Cc1cc(OCC2COCC2)ccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCC1CCOC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C28H29NO3/c30-28(25-11-9-24(10-12-25)23-6-2-1-3-7-23)29(26-13-14-26)18-21-5-4-8-27(17-21)32-20-22-15-16-31-19-22/h1-12,17,22,26H,13-16,18-20H2
• InChIKey: IJCFWPJLRIBHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-4-phenylbenzamide
• IUPAC Traditional name: N-cyclopropyl-N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-4-phenylbenzamide
• Synonyms: N-cyclopropyl-N-[3-(tetrahydro-3-furanylmethoxy)benzyl]-4-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.969605
• LogD (pH = 7.4): 4.969605
• Log P: 4.969605
• Molar Refractivity: 126.9467 cm^3
• Polarizability: 50.22601 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.77
• LOG S: -5.93
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8