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

• ChemBase ID: 768506
• Molecular Formular: C23H27NO2
• Molecular Mass: 349.46598
• Monoisotopic Mass: 349.20417911
• SMILES: C1(CC(=O)N(C2CCOCC2)C)c2c(CCc3c1cccc3)cccc2
• Canonical SMILES: O=C(N(C1CCOCC1)C)CC1c2ccccc2CCc2c1cccc2
• InChI: InChI=1S/C23H27NO2/c1-24(19-12-14-26-15-13-19)23(25)16-22-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)22/h2-9,19,22H,10-16H2,1H3
• InChIKey: CRTDSDPVOSTXHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-4-yl)-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-N-(oxan-4-yl)-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-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.641098
• LogD (pH = 7.4): 3.6410983
• Log P: 3.6410983
• Molar Refractivity: 104.9815 cm^3
• Polarizability: 40.47807 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.06
• LOG S: -4.47
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3