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

• ChemBase ID: 185770
• Molecular Formular: C13H16N2O3
• Molecular Mass: 248.27774
• Monoisotopic Mass: 248.11609238
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)OC
• Canonical SMILES: COC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C13H16N2O3/c1-17-10-3-4-12-11(7-10)9(8-15-12)5-6-14-13(16)18-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
• InChIKey: QFSLYFUBWMDPPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241680
• PubChem CID: 929133

CALCULATED PROPERTIES

• Acid pKa: 15.462004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7669039
• LogD (pH = 7.4): 1.7669039
• Log P: 1.7669039
• Molar Refractivity: 67.9035 cm^3
• Polarizability: 27.307856 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds