N-cyclopropyl-4-methyl-N-{[3-(oxolan-2-ylmethoxy)phenyl]methyl}benzamide

• ChemBase ID: 592240
• Molecular Formular: C23H27NO3
• Molecular Mass: 365.46538
• Monoisotopic Mass: 365.19909373
• SMILES: N(C(=O)c1ccc(cc1)C)(C1CC1)Cc1cc(OCC2OCCC2)ccc1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(C1CC1)Cc1cccc(c1)OCC1CCCO1
• InChI: InChI=1S/C23H27NO3/c1-17-7-9-19(10-8-17)23(25)24(20-11-12-20)15-18-4-2-5-21(14-18)27-16-22-6-3-13-26-22/h2,4-5,7-10,14,20,22H,3,6,11-13,15-16H2,1H3
• InChIKey: QYVGUYNOYRHYMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methyl-N-{[3-(oxolan-2-ylmethoxy)phenyl]methyl}benzamide
• IUPAC Traditional name: N-cyclopropyl-4-methyl-N-{[3-(oxolan-2-ylmethoxy)phenyl]methyl}benzamide
• Synonyms: N-cyclopropyl-4-methyl-N-[3-(tetrahydro-2-furanylmethoxy)benzyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.235615
• LogD (pH = 7.4): 4.2356153
• Log P: 4.2356153
• Molar Refractivity: 106.5127 cm^3
• Polarizability: 40.9998 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.93
• LOG S: -4.76
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7