N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}-2,3,4-trimethoxybenzamide

• ChemBase ID: 763550
• Molecular Formular: C31H35NO5
• Molecular Mass: 501.6133
• Monoisotopic Mass: 501.25152323
• SMILES: c1(C(=O)N(Cc2cc(OC3Cc4c(C3)cccc4)ccc2)C2CCCC2)c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)C(=O)N(C1CCCC1)Cc1cccc(c1)OC1Cc2c(C1)cccc2
• InChI: InChI=1S/C31H35NO5/c1-34-28-16-15-27(29(35-2)30(28)36-3)31(33)32(24-12-6-7-13-24)20-21-9-8-14-25(17-21)37-26-18-22-10-4-5-11-23(22)19-26/h4-5,8-11,14-17,24,26H,6-7,12-13,18-20H2,1-3H3
• InChIKey: OHEYVQADWHBQOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}-2,3,4-trimethoxybenzamide
• IUPAC Traditional name: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}-2,3,4-trimethoxybenzamide
• Synonyms: N-cyclopentyl-N-[3-(2,3-dihydro-1H-inden-2-yloxy)benzyl]-2,3,4-trimethoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.832518
• LogD (pH = 7.4): 5.832518
• Log P: 5.832518
• Molar Refractivity: 144.1558 cm^3
• Polarizability: 55.537167 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.65
• LOG S: -6.88
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 6