N-[2-(6-formyl-7-methoxy-2H-1,3-benzodioxol-5-yl)ethyl]-N-methylpropanamide

• ChemBase ID: 119028
• Molecular Formular: C15H19NO5
• Molecular Mass: 293.31506
• Monoisotopic Mass: 293.12632271
• SMILES: c12c(c(c(cc1OCO2)CCN(C(=O)CC)C)C=O)OC
• Canonical SMILES: CCC(=O)N(CCc1cc2OCOc2c(c1C=O)OC)C
• InChI: InChI=1S/C15H19NO5/c1-4-13(18)16(2)6-5-10-7-12-15(21-9-20-12)14(19-3)11(10)8-17/h7-8H,4-6,9H2,1-3H3
• InChIKey: UCGMSEDPWQIOHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-formyl-7-methoxy-2H-1,3-benzodioxol-5-yl)ethyl]-N-methylpropanamide
• IUPAC Traditional name: N-[2-(6-formyl-7-methoxy-2H-1,3-benzodioxol-5-yl)ethyl]-N-methylpropanamide
• Synonyms: N-(2-(6-formyl-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylpropionamide

Database IDs

• PubChem SID: 162107510
• PubChem CID: 907304

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3087981
• LogD (pH = 7.4): 1.3087986
• Log P: 1.3087986
• Molar Refractivity: 77.0679 cm^3
• Polarizability: 29.520185 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds