N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

• ChemBase ID: 203277
• Molecular Formular: C23H28N2O
• Molecular Mass: 348.48122
• Monoisotopic Mass: 348.22016353
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)C(c1ccc(cc1)CC(C)C)C
• Canonical SMILES: CC(Cc1ccc(cc1)C(C(=O)NCCc1c[nH]c2c1cccc2)C)C
• InChI: InChI=1S/C23H28N2O/c1-16(2)14-18-8-10-19(11-9-18)17(3)23(26)24-13-12-20-15-25-22-7-5-4-6-21(20)22/h4-11,15-17,25H,12-14H2,1-3H3,(H,24,26)
• InChIKey: RQALFBAYWUEKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

Database IDs

• PubChem SID: 164259187
• PubChem CID: 3137652

CALCULATED PROPERTIES

• Acid pKa: 15.844265
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 5.372188
• LogD (pH = 7.4): 5.372188
• Log P: 5.372188
• Molar Refractivity: 107.9049 cm^3
• Polarizability: 42.922535 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds