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

• ChemBase ID: 180895
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)C1CC1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C1CC1)c[nH]2
• InChI: InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(8-12)11(9-17-14)6-7-16-15(18)10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,16,18)
• InChIKey: HSOHROOUHRUSJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236805
• PubChem CID: 2877

CALCULATED PROPERTIES

• Acid pKa: 15.690232
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9274088
• LogD (pH = 7.4): 1.927409
• Log P: 1.927409
• Molar Refractivity: 73.6791 cm^3
• Polarizability: 29.579802 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds