N,N-dimethyl-2-[(1S,5R)-6-[(4-methylnaphthalen-1-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

• ChemBase ID: 567703
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: N1(Cc2c3c(c(cc2)C)cccc3)[C@H]2CN(CC(=O)N(C)C)C[C@@H](C1)CC2
• Canonical SMILES: O=C(N(C)C)CN1C[C@@H]2CC[C@H](C1)N(C2)Cc1ccc(c2c1cccc2)C
• InChI: InChI=1S/C23H31N3O/c1-17-8-10-19(22-7-5-4-6-21(17)22)14-26-13-18-9-11-20(26)15-25(12-18)16-23(27)24(2)3/h4-8,10,18,20H,9,11-16H2,1-3H3/t18-,20+/m0/s1
• InChIKey: MUDKZGNHVNPYEE-AZUAARDMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(1S,5R)-6-[(4-methylnaphthalen-1-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
• IUPAC Traditional name: N,N-dimethyl-2-[(1S,5R)-6-[(4-methylnaphthalen-1-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
• Synonyms: N,N-dimethyl-2-{(1S*,5R*)-6-[(4-methyl-1-naphthyl)methyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5093953
• LogD (pH = 7.4): 0.958199
• Log P: 2.9531393
• Molar Refractivity: 111.6638 cm^3
• Polarizability: 44.56811 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.13
• LOG S: -4.54
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4