N-(3-methoxyphenyl)-4-[3-(1,2-oxazolidin-2-yl)propanamido]benzamide

• ChemBase ID: 764650
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: C(=O)(Nc1cc(OC)ccc1)c1ccc(NC(=O)CCN2OCCC2)cc1
• Canonical SMILES: COc1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)CCN1CCCO1
• InChI: InChI=1S/C20H23N3O4/c1-26-18-5-2-4-17(14-18)22-20(25)15-6-8-16(9-7-15)21-19(24)10-12-23-11-3-13-27-23/h2,4-9,14H,3,10-13H2,1H3,(H,21,24)(H,22,25)
• InChIKey: XAZVNQLYMUOKOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-4-[3-(1,2-oxazolidin-2-yl)propanamido]benzamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-4-[3-(1,2-oxazolidin-2-yl)propanamido]benzamide
• Synonyms: 4-[(3-isoxazolidin-2-ylpropanoyl)amino]-N-(3-methoxyphenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.24954
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.7750434
• LogD (pH = 7.4): 1.7751784
• Log P: 1.7751808
• Molar Refractivity: 104.8947 cm^3
• Polarizability: 39.19828 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.45
• LOG S: -3.99
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7