N-[2-(furan-2-yl)ethyl]-2-[2-methyl-4-oxo-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

• ChemBase ID: 663919
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: n1(c2c(c(c1C)CC(=O)NCCc1occc1)C(=O)CCC2)CC1OCCC1
• Canonical SMILES: O=C(Cc1c(C)n(c2c1C(=O)CCC2)CC1CCCO1)NCCc1ccco1
• InChI: InChI=1S/C22H28N2O4/c1-15-18(13-21(26)23-10-9-16-5-3-11-27-16)22-19(7-2-8-20(22)25)24(15)14-17-6-4-12-28-17/h3,5,11,17H,2,4,6-10,12-14H2,1H3,(H,23,26)
• InChIKey: UGGUSEDWJPDCHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]-2-[2-methyl-4-oxo-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]-2-[2-methyl-4-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
• Synonyms: N-[2-(2-furyl)ethyl]-2-[2-methyl-4-oxo-1-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.234065
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.86609
• LogD (pH = 7.4): 1.86609
• Log P: 1.86609
• Molar Refractivity: 107.3135 cm^3
• Polarizability: 40.63216 Å^3
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.9
• LOG S: -5.2
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 7