N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 182601
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CC
• Canonical SMILES: CCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C14H18N2O2/c1-3-14(17)15-7-6-10-9-16-13-5-4-11(18-2)8-12(10)13/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
• InChIKey: VXGNHTKZJOTYNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164238511
• PubChem CID: 395810

CALCULATED PROPERTIES

• Acid pKa: 15.799711
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8481483
• LogD (pH = 7.4): 1.8481486
• Log P: 1.8481486
• Molar Refractivity: 70.9068 cm^3
• Polarizability: 28.469791 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds