N'-{[4-(cyclobutylmethoxy)phenyl]methyl}-N'-cyclopropyl-N,N-dimethylbutanediamide

• ChemBase ID: 682927
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: N(C1CC1)(C(=O)CCC(=O)N(C)C)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)CCC(=O)N(C)C
• InChI: InChI=1S/C21H30N2O3/c1-22(2)20(24)12-13-21(25)23(18-8-9-18)14-16-6-10-19(11-7-16)26-15-17-4-3-5-17/h6-7,10-11,17-18H,3-5,8-9,12-15H2,1-2H3
• InChIKey: CKAMWDXQQLPRII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-{[4-(cyclobutylmethoxy)phenyl]methyl}-N'-cyclopropyl-N,N-dimethylbutanediamide
• IUPAC Traditional name: N'-{[4-(cyclobutylmethoxy)phenyl]methyl}-N'-cyclopropyl-N,N-dimethylsuccinamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-N',N'-dimethylsuccinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1398482
• LogD (pH = 7.4): 2.1398485
• Log P: 2.1398485
• Molar Refractivity: 101.5982 cm^3
• Polarizability: 39.58397 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -3.01
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9