methyl 4-[methoxy(methyl)carbamoyl]benzoate

• ChemBase ID: 248544
• Molecular Formular: C11H13NO4
• Molecular Mass: 223.22522
• Monoisotopic Mass: 223.0844579
• SMILES: C(=O)(N(OC)C)c1ccc(C(=O)OC)cc1
• Canonical SMILES: CON(C(=O)c1ccc(cc1)C(=O)OC)C
• InChI: InChI=1S/C11H13NO4/c1-12(16-3)10(13)8-4-6-9(7-5-8)11(14)15-2/h4-7H,1-3H3
• InChIKey: WSFWZFRKCJTFMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[methoxy(methyl)carbamoyl]benzoate
• IUPAC Traditional name: methyl 4-[methoxy(methyl)carbamoyl]benzoate
• Synonyms: methyl 4-[methoxy(methyl)carbamoyl]benzoate

Database IDs

• MDL Number: MFCD12406924
• PubChem SID: 164304454
• PubChem CID: 54447022

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4258181
• LogD (pH = 7.4): 1.4258181
• Log P: 1.4258181
• Molar Refractivity: 58.3053 cm^3
• Polarizability: 22.00988 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.618

Product Information

• Purity: 95%