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

• ChemBase ID: 438276
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: n1(c2c(c(c1C)CC(=O)NC1CCCC1)C(=O)CCC2)CC1OCCC1
• Canonical SMILES: O=C(Cc1c2C(=O)CCCc2n(c1C)CC1CCCO1)NC1CCCC1
• InChI: InChI=1S/C21H30N2O3/c1-14-17(12-20(25)22-15-6-2-3-7-15)21-18(9-4-10-19(21)24)23(14)13-16-8-5-11-26-16/h15-16H,2-13H2,1H3,(H,22,25)
• InChIKey: ZJHOPSWYTLQWRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.516564
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3761125
• LogD (pH = 7.4): 2.3761125
• Log P: 2.3761125
• Molar Refractivity: 101.8578 cm^3
• Polarizability: 38.95632 Å^3
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.1
• LOG S: -5.46
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5