4-(tert-butoxy)-N-methoxy-N-methylbenzamide

• ChemBase ID: 808997
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: c1(ccc(cc1)OC(C)(C)C)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1ccc(cc1)OC(C)(C)C)C
• InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-11-8-6-10(7-9-11)12(15)14(4)16-5/h6-9H,1-5H3
• InChIKey: AFPRGMGUHZFQKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tert-butoxy)-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 4-(tert-butoxy)-N-methoxy-N-methylbenzamide
• Synonyms: 4-TERT-BUTOXY-N-METHOXY-N-METHYLBENZAMIDE

Database IDs

• CAS Number: 916791-35-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3186295
• LogD (pH = 7.4): 2.3186295
• Log P: 2.3186295
• Molar Refractivity: 66.5488 cm^3
• Polarizability: 25.578634 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%