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

• ChemBase ID: 184264
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)OCc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)OCc1ccccc1)c[nH]2
• InChI: InChI=1S/C19H20N2O3/c1-23-16-7-8-18-17(11-16)15(12-21-18)9-10-20-19(22)24-13-14-5-3-2-4-6-14/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)
• InChIKey: ZDQFSJNLDMYFCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240174
• PubChem CID: 928628

CALCULATED PROPERTIES

• Acid pKa: 15.385016
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.491377
• LogD (pH = 7.4): 3.491377
• Log P: 3.491377
• Molar Refractivity: 92.5161 cm^3
• Polarizability: 36.91144 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds