N-[3-(2,3-dihydro-1H-isoindol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 394331
• Molecular Formular: C24H29N3O
• Molecular Mass: 375.50656
• Monoisotopic Mass: 375.23106256
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCCN1Cc2c(C1)cccc2
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCCN1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H29N3O/c1-16-11-17(2)24-22(12-16)21(18(3)26-24)13-23(28)25-9-6-10-27-14-19-7-4-5-8-20(19)15-27/h4-5,7-8,11-12,26H,6,9-10,13-15H2,1-3H3,(H,25,28)
• InChIKey: DRCQYKFCHRUGPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-isoindol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[3-(1,3-dihydro-2H-isoindol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.025969
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6183324
• LogD (pH = 7.4): 3.3518808
• Log P: 3.9071984
• Molar Refractivity: 116.4548 cm^3
• Polarizability: 45.374153 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.63
• LOG S: -5.04
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6