2-[benzyl(methyl)amino]-N-[(1r,4r)-4-hydroxycyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 794707
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C1(C(=O)N[C@@H]2CC[C@H](CC2)O)(N(Cc2ccccc2)C)Cc2c(C1)cccc2
• Canonical SMILES: O[C@@H]1CC[C@H](CC1)NC(=O)C1(Cc2c(C1)cccc2)N(Cc1ccccc1)C
• InChI: InChI=1S/C24H30N2O2/c1-26(17-18-7-3-2-4-8-18)24(15-19-9-5-6-10-20(19)16-24)23(28)25-21-11-13-22(27)14-12-21/h2-10,21-22,27H,11-17H2,1H3,(H,25,28)/t21-,22-
• InChIKey: UDKXOXQMRCNSBO-HZCBDIJESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[benzyl(methyl)amino]-N-[(1r,4r)-4-hydroxycyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-[benzyl(methyl)amino]-N-[(1r,4r)-4-hydroxycyclohexyl]-1,3-dihydroindene-2-carboxamide
• Synonyms: 2-[benzyl(methyl)amino]-N-(trans-4-hydroxycyclohexyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.059209
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9543438
• LogD (pH = 7.4): 2.7281735
• Log P: 3.5628483
• Molar Refractivity: 112.4751 cm^3
• Polarizability: 43.929474 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.85
• LOG S: -3.53
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5