2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(cyclopropylmethyl)acetamide

• ChemBase ID: 593442
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: n1(c2c(c(c1C)CC(=O)NCC1CC1)C(=O)CCC2)Cc1ccccc1
• Canonical SMILES: O=C(Cc1c(C)n(c2c1C(=O)CCC2)Cc1ccccc1)NCC1CC1
• InChI: InChI=1S/C22H26N2O2/c1-15-18(12-21(26)23-13-16-10-11-16)22-19(8-5-9-20(22)25)24(15)14-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-14H2,1H3,(H,23,26)
• InChIKey: IJSJJNBYZWJCMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(cyclopropylmethyl)acetamide
• IUPAC Traditional name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(cyclopropylmethyl)acetamide
• Synonyms: 2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(cyclopropylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.59767
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.107872
• LogD (pH = 7.4): 3.107872
• Log P: 3.107872
• Molar Refractivity: 103.7445 cm^3
• Polarizability: 39.37291 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -5.29
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 6