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

• ChemBase ID: 698210
• Molecular Formular: C24H29NO3
• Molecular Mass: 379.49196
• Monoisotopic Mass: 379.21474379
• SMILES: N(C(=O)c1ccc(cc1)C)(C1CC1)Cc1cc(OCC2OCCCC2)ccc1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(C1CC1)Cc1cccc(c1)OCC1CCCCO1
• InChI: InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(26)25(21-12-13-21)16-19-5-4-7-22(15-19)28-17-23-6-2-3-14-27-23/h4-5,7-11,15,21,23H,2-3,6,12-14,16-17H2,1H3
• InChIKey: GXUBEOXOZSYYSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 42.842728 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6801834
• LogD (pH = 7.4): 4.680184
• Log P: 4.680184
• Molar Refractivity: 111.1137 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 4.36
• LOG S: -5.27