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

• ChemBase ID: 181355
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC=O
• Canonical SMILES: COc1cc2c(CCNC=O)c[nH]c2cc1
• InChI: InChI=1S/C12H14N2O2/c1-16-10-2-3-12-11(6-10)9(7-14-12)4-5-13-8-15/h2-3,6-8,14H,4-5H2,1H3,(H,13,15)
• InChIKey: BITNNVPWWORZHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237265
• PubChem CID: 594887

CALCULATED PROPERTIES

• Acid pKa: 15.932644
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0989138
• LogD (pH = 7.4): 1.098914
• Log P: 1.098914
• Molar Refractivity: 61.7894 cm^3
• Polarizability: 24.780418 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds