2-{[(2-methyl-1-benzofuran-7-yl)carbamoyl]amino}-N-(propan-2-yl)acetamide

• ChemBase ID: 751323
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: c12oc(cc1cccc2NC(=O)NCC(=O)NC(C)C)C
• Canonical SMILES: CC(NC(=O)CNC(=O)Nc1cccc2c1oc(c2)C)C
• InChI: InChI=1S/C15H19N3O3/c1-9(2)17-13(19)8-16-15(20)18-12-6-4-5-11-7-10(3)21-14(11)12/h4-7,9H,8H2,1-3H3,(H,17,19)(H2,16,18,20)
• InChIKey: OUXWBLZPMBGEQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2-methyl-1-benzofuran-7-yl)carbamoyl]amino}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-{[(2-methyl-1-benzofuran-7-yl)carbamoyl]amino}acetamide
• Synonyms: N~1~-isopropyl-N~2~-{[(2-methyl-1-benzofuran-7-yl)amino]carbonyl}glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.541456
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.1278708
• LogD (pH = 7.4): 1.1278414
• Log P: 1.1278712
• Molar Refractivity: 80.4561 cm^3
• Polarizability: 31.062761 Å^3
• Polar Surface Area: 83.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.77
• LOG S: -2.82
• Polar Surface Area: 83.37 Å^2
• Rotatable Bonds: 4