N-{2-[4-(dimethylamino)phenyl]ethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 557312
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCc1ccc(N(C)C)cc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NCCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C23H29N3O/c1-15-6-7-16(2)23-22(15)20(17(3)25-23)14-21(27)24-13-12-18-8-10-19(11-9-18)26(4)5/h6-11,25H,12-14H2,1-5H3,(H,24,27)
• InChIKey: LLASAHVHEFXIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(dimethylamino)phenyl]ethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-{2-[4-(dimethylamino)phenyl]ethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-{2-[4-(dimethylamino)phenyl]ethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.150126
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.3729258
• LogD (pH = 7.4): 4.47264
• Log P: 4.474072
• Molar Refractivity: 114.1993 cm^3
• Polarizability: 43.871864 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: 1
• H Donor: 2
• Log P: 4.13
• LOG S: -5.38
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6