N-(2,2-dimethyloxan-4-yl)-3-(1-methyl-1H-indol-3-yl)propanamide

• ChemBase ID: 226795
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: n1(cc(c2c1cccc2)CCC(=O)NC1CC(OCC1)(C)C)C
• Canonical SMILES: O=C(NC1CCOC(C1)(C)C)CCc1cn(c2c1cccc2)C
• InChI: InChI=1S/C19H26N2O2/c1-19(2)12-15(10-11-23-19)20-18(22)9-8-14-13-21(3)17-7-5-4-6-16(14)17/h4-7,13,15H,8-12H2,1-3H3,(H,20,22)
• InChIKey: KHNVAPROUJAXEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-3-(1-methyl-1H-indol-3-yl)propanamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-3-(1-methylindol-3-yl)propanamide

Database IDs

• PubChem SID: 164282705
• PubChem CID: 71753947

CALCULATED PROPERTIES

• Acid pKa: 16.017591
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4530709
• LogD (pH = 7.4): 2.453072
• Log P: 2.453072
• Molar Refractivity: 92.2012 cm^3
• Polarizability: 36.894688 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds