N-[2-(1H-pyrrol-1-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 402453
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCn1cccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCn1cccc1
• InChI: InChI=1S/C19H23N3O/c1-13-10-14(2)19-17(11-13)16(15(3)21-19)12-18(23)20-6-9-22-7-4-5-8-22/h4-5,7-8,10-11,21H,6,9,12H2,1-3H3,(H,20,23)
• InChIKey: XSXDYJOEYZQRHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-pyrrol-1-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(pyrrol-1-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[2-(1H-pyrrol-1-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.072676
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.4581747
• LogD (pH = 7.4): 3.4581747
• Log P: 3.4581747
• Molar Refractivity: 94.1476 cm^3
• Polarizability: 36.731434 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 2.99
• LOG S: -4.01
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 5