(2R)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide

• ChemBase ID: 826805
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: [nH]1c2c(c(c1)CCNC(=O)[C@@H]1OCCC1)cccc2C
• Canonical SMILES: O=C([C@H]1CCCO1)NCCc1c[nH]c2c1cccc2C
• InChI: InChI=1S/C16H20N2O2/c1-11-4-2-5-13-12(10-18-15(11)13)7-8-17-16(19)14-6-3-9-20-14/h2,4-5,10,14,18H,3,6-9H2,1H3,(H,17,19)/t14-/m1/s1
• InChIKey: GQVKELIGZAFCFC-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
• IUPAC Traditional name: (2R)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
• Synonyms: (2R)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.503776
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2623377
• LogD (pH = 7.4): 2.2623377
• Log P: 2.2623377
• Molar Refractivity: 78.5976 cm^3
• Polarizability: 31.363121 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.19
• LOG S: -2.2
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4