3-(4-hydroxyphenyl)-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 657714
• Molecular Formular: C21H25NO4
• Molecular Mass: 355.4275
• Monoisotopic Mass: 355.17835829
• SMILES: C(=O)(N(CC1OCCC1)CCOC)c1cc(c2ccc(cc2)O)ccc1
• Canonical SMILES: COCCN(C(=O)c1cccc(c1)c1ccc(cc1)O)CC1CCCO1
• InChI: InChI=1S/C21H25NO4/c1-25-13-11-22(15-20-6-3-12-26-20)21(24)18-5-2-4-17(14-18)16-7-9-19(23)10-8-16/h2,4-5,7-10,14,20,23H,3,6,11-13,15H2,1H3
• InChIKey: HLNRUPOCFGGMDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxyphenyl)-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-(4-hydroxyphenyl)-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: 4'-hydroxy-N-(2-methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)biphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.861718
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9864929
• LogD (pH = 7.4): 2.9850233
• Log P: 2.9865117
• Molar Refractivity: 101.3451 cm^3
• Polarizability: 40.09429 Å^3
• Polar Surface Area: 59.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.13
• LOG S: -3.89
• Polar Surface Area: 59.0 Å^2
• Rotatable Bonds: 7