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

• ChemBase ID: 226336
• Molecular Formular: C14H18N2O3
• Molecular Mass: 262.30432
• Monoisotopic Mass: 262.13174245
• SMILES: n1(c2c(cc1)cc(cc2)OC)CCNC(=O)COC
• Canonical SMILES: COCC(=O)NCCn1ccc2c1ccc(c2)OC
• InChI: InChI=1S/C14H18N2O3/c1-18-10-14(17)15-6-8-16-7-5-11-9-12(19-2)3-4-13(11)16/h3-5,7,9H,6,8,10H2,1-2H3,(H,15,17)
• InChIKey: VJGXDOFCEYODFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282246
• PubChem CID: 71692281

CALCULATED PROPERTIES

• Polarizability: 29.150877 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.249029
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.98575383
• LogD (pH = 7.4): 0.98575383
• Log P: 0.98575383
• Molar Refractivity: 72.3514 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds