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

• ChemBase ID: 454040
• Molecular Formular: C29H37NO4
• Molecular Mass: 463.60838
• Monoisotopic Mass: 463.27225867
• SMILES: N(C(=O)C1CCCCC1)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)C1CCCCC1)CC1CCCO1
• InChI: InChI=1S/C29H37NO4/c1-32-28-16-21(13-14-27(28)34-26-17-23-10-5-6-11-24(23)18-26)19-30(20-25-12-7-15-33-25)29(31)22-8-3-2-4-9-22/h5-6,10-11,13-14,16,22,25-26H,2-4,7-9,12,15,17-20H2,1H3
• InChIKey: SWUYIGFMZUZEIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.4710746
• LogD (pH = 7.4): 5.4710755
• Log P: 5.4710755
• Molar Refractivity: 133.6026 cm^3
• Polarizability: 52.135906 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: 5.54
• LOG S: -6.39
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7