N-[1-(1H-indol-3-yl)propan-2-yl]-4-methoxybenzamide

• ChemBase ID: 183587
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c[nH]c2c1cccc2)CC(NC(=O)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)C(=O)NC(Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C19H20N2O2/c1-13(11-15-12-20-18-6-4-3-5-17(15)18)21-19(22)14-7-9-16(23-2)10-8-14/h3-10,12-13,20H,11H2,1-2H3,(H,21,22)
• InChIKey: OFXZWDDMPDDQKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-indol-3-yl)propan-2-yl]-4-methoxybenzamide
• IUPAC Traditional name: N-[1-(1H-indol-3-yl)propan-2-yl]-4-methoxybenzamide

Database IDs

• PubChem SID: 164239497
• PubChem CID: 2827424

CALCULATED PROPERTIES

• Acid pKa: 15.126798
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.418362
• LogD (pH = 7.4): 3.4183621
• Log P: 3.4183621
• Molar Refractivity: 91.3692 cm^3
• Polarizability: 36.024742 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds