N-methyl-N-[2-(2-methylphenyl)-1-{1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl}ethyl]cyclobutanecarboxamide

• ChemBase ID: 676501
• Molecular Formular: C30H40N2O2
• Molecular Mass: 460.6508
• Monoisotopic Mass: 460.30897853
• SMILES: N(C(=O)C1CCC1)(C(Cc1c(C)cccc1)C1CCN(C(=O)CCc2ccc(cc2)C)CC1)C
• Canonical SMILES: Cc1ccc(cc1)CCC(=O)N1CCC(CC1)C(N(C(=O)C1CCC1)C)Cc1ccccc1C
• InChI: InChI=1S/C30H40N2O2/c1-22-11-13-24(14-12-22)15-16-29(33)32-19-17-25(18-20-32)28(21-27-8-5-4-7-23(27)2)31(3)30(34)26-9-6-10-26/h4-5,7-8,11-14,25-26,28H,6,9-10,15-21H2,1-3H3
• InChIKey: JVMBWPNAZWRLNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(2-methylphenyl)-1-{1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl}ethyl]cyclobutanecarboxamide
• IUPAC Traditional name: N-methyl-N-[2-(2-methylphenyl)-1-{1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl}ethyl]cyclobutanecarboxamide
• Synonyms: N-methyl-N-(2-(2-methylphenyl)-1-{1-[3-(4-methylphenyl)propanoyl]-4-piperidinyl}ethyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7343817
• LogD (pH = 7.4): 5.7343826
• Log P: 5.7343826
• Molar Refractivity: 139.2429 cm^3
• Polarizability: 53.897778 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.31
• LOG S: -6.14
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 8