N-(3-acetamidophenyl)-4-(1H-indol-3-yl)butanamide

• ChemBase ID: 219421
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: [nH]1cc(c2c1cccc2)CCCC(=O)Nc1cc(NC(=O)C)ccc1
• Canonical SMILES: O=C(Nc1cccc(c1)NC(=O)C)CCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H21N3O2/c1-14(24)22-16-7-5-8-17(12-16)23-20(25)11-4-6-15-13-21-19-10-3-2-9-18(15)19/h2-3,5,7-10,12-13,21H,4,6,11H2,1H3,(H,22,24)(H,23,25)
• InChIKey: RJZJZSOGCXGQSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetamidophenyl)-4-(1H-indol-3-yl)butanamide
• IUPAC Traditional name: N-(3-acetamidophenyl)-4-(1H-indol-3-yl)butanamide

Database IDs

• PubChem SID: 164275331
• PubChem CID: 16409324

CALCULATED PROPERTIES

• Acid pKa: 13.680716
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 3.2709057
• LogD (pH = 7.4): 3.2709055
• Log P: 3.2709057
• Molar Refractivity: 100.7944 cm^3
• Polarizability: 38.582767 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds