N-{1-oxaspiro[4.4]nonan-3-yl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 765644
• Molecular Formular: C21H28N2O2
• Molecular Mass: 340.45922
• Monoisotopic Mass: 340.21507815
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NC1CC2(OC1)CCCC2
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NC1COC2(C1)CCCC2
• InChI: InChI=1S/C21H28N2O2/c1-13-6-7-14(2)20-19(13)17(15(3)22-20)10-18(24)23-16-11-21(25-12-16)8-4-5-9-21/h6-7,16,22H,4-5,8-12H2,1-3H3,(H,23,24)
• InChIKey: CQIGMTOZKKFQRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-oxaspiro[4.4]nonan-3-yl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-{1-oxaspiro[4.4]nonan-3-yl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-1-oxaspiro[4.4]non-3-yl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.828725
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5325906
• LogD (pH = 7.4): 3.5325906
• Log P: 3.5325906
• Molar Refractivity: 100.316 cm^3
• Polarizability: 39.690765 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.13
• LOG S: -4.36
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 3