2-{[(1-ethyl-1H-indol-6-yl)methyl](methyl)amino}-N,N-dimethylpropanamide

• ChemBase ID: 763199
• Molecular Formular: C17H25N3O
• Molecular Mass: 287.3999
• Monoisotopic Mass: 287.19976244
• SMILES: C(=O)(C(N(Cc1cc2n(ccc2cc1)CC)C)C)N(C)C
• Canonical SMILES: CCn1ccc2c1cc(cc2)CN(C(C(=O)N(C)C)C)C
• InChI: InChI=1S/C17H25N3O/c1-6-20-10-9-15-8-7-14(11-16(15)20)12-19(5)13(2)17(21)18(3)4/h7-11,13H,6,12H2,1-5H3
• InChIKey: IEUYRTCMIRXVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1-ethyl-1H-indol-6-yl)methyl](methyl)amino}-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-{[(1-ethylindol-6-yl)methyl](methyl)amino}-N,N-dimethylpropanamide
• Synonyms: N~2~-[(1-ethyl-1H-indol-6-yl)methyl]-N~1~,N~1~,N~2~-trimethylalaninamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.11585107
• LogD (pH = 7.4): 1.816309
• Log P: 2.2810457
• Molar Refractivity: 87.5266 cm^3
• Polarizability: 34.79927 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.53
• LOG S: -3.46
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 5