N,N-diethyl-2,3-dimethoxybenzamide

• ChemBase ID: 108851
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: CCN(CC)C(=O)c1cccc(OC)c1OC
• Canonical SMILES: CCN(C(=O)c1cccc(c1OC)OC)CC
• InChI: InChI=1S/C13H19NO3/c1-5-14(6-2)13(15)10-8-7-9-11(16-3)12(10)17-4/h7-9H,5-6H2,1-4H3
• InChIKey: SUSWIGCCIPLSLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2,3-dimethoxybenzamide
• IUPAC Traditional name: N,N-diethyl-2,3-dimethoxybenzamide
• Synonyms: N,N-DIETHYL-2,3-DIMETHOXYBENZAMIDE

Database IDs

• CAS Number: 30577-84-5
• PubChem SID: 162094629
• PubChem CID: 346069

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6695113
• LogD (pH = 7.4): 1.6695117
• Log P: 1.6695117
• Molar Refractivity: 67.3534 cm^3
• Polarizability: 25.569487 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208983

MP Biomedicals Rare Chemical collection