2-(5-methoxy-1H-indol-1-yl)-N-(6-methylheptan-2-yl)acetamide

• ChemBase ID: 221532
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)NC(CCCC(C)C)C
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)NC(CCCC(C)C)C
• InChI: InChI=1S/C19H28N2O2/c1-14(2)6-5-7-15(3)20-19(22)13-21-11-10-16-12-17(23-4)8-9-18(16)21/h8-12,14-15H,5-7,13H2,1-4H3,(H,20,22)
• InChIKey: ZVEUYBGDMMBBJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-1H-indol-1-yl)-N-(6-methylheptan-2-yl)acetamide
• IUPAC Traditional name: 2-(5-methoxyindol-1-yl)-N-(6-methylheptan-2-yl)acetamide

Database IDs

• PubChem SID: 164277442
• PubChem CID: 42648833

CALCULATED PROPERTIES

• Acid pKa: 15.690923
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.94936
• LogD (pH = 7.4): 3.94936
• Log P: 3.94936
• Molar Refractivity: 93.3509 cm^3
• Polarizability: 37.69765 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds