N-(2-methoxy-5-methylphenyl)-2-[(2-methyloxolan-2-yl)formamido]acetamide

• ChemBase ID: 749927
• Molecular Formular: C16H22N2O4
• Molecular Mass: 306.35688
• Monoisotopic Mass: 306.15795719
• SMILES: C(=O)(C1(OCCC1)C)NCC(=O)Nc1c(ccc(c1)C)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)CNC(=O)C1(C)CCCO1)C
• InChI: InChI=1S/C16H22N2O4/c1-11-5-6-13(21-3)12(9-11)18-14(19)10-17-15(20)16(2)7-4-8-22-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)(H,18,19)
• InChIKey: UAOAEMHJPQMSDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-methylphenyl)-2-[(2-methyloxolan-2-yl)formamido]acetamide
• IUPAC Traditional name: N-(2-methoxy-5-methylphenyl)-2-[(2-methyloxolan-2-yl)formamido]acetamide
• Synonyms: N-{2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}-2-methyltetrahydrofuran-2-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.844258
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.337821
• LogD (pH = 7.4): 1.3378067
• Log P: 1.3378211
• Molar Refractivity: 83.6819 cm^3
• Polarizability: 31.745476 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.7
• LOG S: -2.03
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5