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

• ChemBase ID: 440937
• Molecular Formular: C29H37NO4
• Molecular Mass: 463.60838
• Monoisotopic Mass: 463.27225867
• SMILES: C(=O)(N(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1)CC1CCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)CC1CCCC1)CC1CCCO1
• InChI: InChI=1S/C29H37NO4/c1-32-28-15-22(12-13-27(28)34-26-17-23-9-4-5-10-24(23)18-26)19-30(20-25-11-6-14-33-25)29(31)16-21-7-2-3-8-21/h4-5,9-10,12-13,15,21,25-26H,2-3,6-8,11,14,16-20H2,1H3
• InChIKey: JBGYDROCKMEYKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.215108
• LogD (pH = 7.4): 5.2151084
• Log P: 5.2151084
• Molar Refractivity: 133.5767 cm^3
• Polarizability: 52.135906 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.6
• LOG S: -6.37
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8