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

• ChemBase ID: 522315
• Molecular Formular: C30H33NO4
• Molecular Mass: 471.58732
• Monoisotopic Mass: 471.24095854
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1ccc(cc1)C)CC1CCCO1
• InChI: InChI=1S/C30H33NO4/c1-21-9-12-23(13-10-21)30(32)31(20-26-8-5-15-34-26)19-22-11-14-28(29(16-22)33-2)35-27-17-24-6-3-4-7-25(24)18-27/h3-4,6-7,9-14,16,26-27H,5,8,15,17-20H2,1-2H3
• InChIKey: WCGYHEGKZNQKFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.725169
• LogD (pH = 7.4): 5.725169
• Log P: 5.725169
• Molar Refractivity: 138.1121 cm^3
• Polarizability: 52.95813 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.66
• LOG S: -7.12
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7