N-(3-methoxypropyl)-1-methyl-1H-indole-4-carboxamide

• ChemBase ID: 223550
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: c12ccn(c1cccc2C(=O)NCCCOC)C
• Canonical SMILES: COCCCNC(=O)c1cccc2c1ccn2C
• InChI: InChI=1S/C14H18N2O2/c1-16-9-7-11-12(5-3-6-13(11)16)14(17)15-8-4-10-18-2/h3,5-7,9H,4,8,10H2,1-2H3,(H,15,17)
• InChIKey: SNFRJLXKNXIZNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-1-methyl-1H-indole-4-carboxamide
• IUPAC Traditional name: N-(3-methoxypropyl)-1-methylindole-4-carboxamide

Database IDs

• PubChem SID: 164279460
• PubChem CID: 49652312

CALCULATED PROPERTIES

• Acid pKa: 15.33245
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.382984
• LogD (pH = 7.4): 1.3829844
• Log P: 1.3829845
• Molar Refractivity: 71.9252 cm^3
• Polarizability: 28.19067 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds