N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 222411
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: n1(ccc2c1c(OC)ccc2)CC(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)Cn2ccc3c2c(OC)ccc3)ccc1OC
• InChI: InChI=1S/C21H24N2O4/c1-25-17-8-7-15(13-19(17)27-3)9-11-22-20(24)14-23-12-10-16-5-4-6-18(26-2)21(16)23/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,22,24)
• InChIKey: PFXQSSYFQYTGFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164278321
• PubChem CID: 39378067

CALCULATED PROPERTIES

• Acid pKa: 15.2494545
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7305212
• LogD (pH = 7.4): 2.7305212
• Log P: 2.7305212
• Molar Refractivity: 103.6019 cm^3
• Polarizability: 41.25639 Å^3
• Polar Surface Area: 61.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds