2-[(dimethoxyphosphoryl)amino]-N-(4-methoxyphenyl)acetamide

• ChemBase ID: 226499
• Molecular Formular: C11H17N2O5P
• Molecular Mass: 288.236841
• Monoisotopic Mass: 288.08750828
• SMILES: P(=O)(NCC(=O)Nc1ccc(cc1)OC)(OC)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CNP(=O)(OC)OC
• InChI: InChI=1S/C11H17N2O5P/c1-16-10-6-4-9(5-7-10)13-11(14)8-12-19(15,17-2)18-3/h4-7H,8H2,1-3H3,(H,12,15)(H,13,14)
• InChIKey: MQRVMXUBNLDLBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethoxyphosphoryl)amino]-N-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-[(dimethoxyphosphoryl)amino]-N-(4-methoxyphenyl)acetamide

Database IDs

• PubChem SID: 164282409
• PubChem CID: 71753664

CALCULATED PROPERTIES

• Acid pKa: 13.125535
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.13923167
• LogD (pH = 7.4): 0.13923089
• Log P: 0.13923168
• Molar Refractivity: 70.8737 cm^3
• Polarizability: 27.344284 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds