N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2-methoxy-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 467972
• Molecular Formular: C30H33NO5
• Molecular Mass: 487.58672
• Monoisotopic Mass: 487.23587316
• SMILES: C(=O)(c1c(OC)cccc1)N(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1ccccc1OC)CC1CCCO1
• InChI: InChI=1S/C30H33NO5/c1-33-27-12-6-5-11-26(27)30(32)31(20-24-10-7-15-35-24)19-21-13-14-28(29(16-21)34-2)36-25-17-22-8-3-4-9-23(22)18-25/h3-6,8-9,11-14,16,24-25H,7,10,15,17-20H2,1-2H3
• InChIKey: HOJGGQIVJQFCHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.0540767
• LogD (pH = 7.4): 5.0540767
• Log P: 5.0540767
• Molar Refractivity: 139.5341 cm^3
• Polarizability: 53.709763 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: 5.38
• LOG S: -6.17
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 7