N-methyl-2-{tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}acetamide

• ChemBase ID: 368841
• Molecular Formular: C18H19NO
• Molecular Mass: 265.34956
• Monoisotopic Mass: 265.14666423
• SMILES: C1(c2c(CCc3c1cccc3)cccc2)CC(=O)NC
• Canonical SMILES: CNC(=O)CC1c2ccccc2CCc2c1cccc2
• InChI: InChI=1S/C18H19NO/c1-19-18(20)12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,19,20)
• InChIKey: GQMDSHBVXWLHDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}acetamide
• IUPAC Traditional name: N-methyl-2-{tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}acetamide
• Synonyms: 2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.1797
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4562361
• LogD (pH = 7.4): 3.4562361
• Log P: 3.4562361
• Molar Refractivity: 81.6093 cm^3
• Polarizability: 31.321392 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.15
• LOG S: -4.14
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2