N-[3-(2-methoxybenzamido)phenyl]-2-methyloxane-2-carboxamide

• ChemBase ID: 750505
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)C2(OCCCC2)C)ccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)C1(C)CCCCO1
• InChI: InChI=1S/C21H24N2O4/c1-21(12-5-6-13-27-21)20(25)23-16-9-7-8-15(14-16)22-19(24)17-10-3-4-11-18(17)26-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,22,24)(H,23,25)
• InChIKey: FATBYRJOHYSYTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxybenzamido)phenyl]-2-methyloxane-2-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxybenzamido)phenyl]-2-methyloxane-2-carboxamide
• Synonyms: N-{3-[(2-methoxybenzoyl)amino]phenyl}-2-methyltetrahydro-2H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.449219
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.4661365
• LogD (pH = 7.4): 3.4661329
• Log P: 3.4661365
• Molar Refractivity: 105.9717 cm^3
• Polarizability: 39.510292 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: 3.0
• LOG S: -4.44
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5