N-[(4-acetamidophenyl)methyl]-2-[(oxolan-2-ylmethyl)amino]acetamide

• ChemBase ID: 694527
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: C(=O)(Nc1ccc(CNC(=O)CNCC2OCCC2)cc1)C
• Canonical SMILES: O=C(NCc1ccc(cc1)NC(=O)C)CNCC1CCCO1
• InChI: InChI=1S/C16H23N3O3/c1-12(20)19-14-6-4-13(5-7-14)9-18-16(21)11-17-10-15-3-2-8-22-15/h4-7,15,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)
• InChIKey: UUVMJNRRBSAKEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-acetamidophenyl)methyl]-2-[(oxolan-2-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-[(4-acetamidophenyl)methyl]-2-[(oxolan-2-ylmethyl)amino]acetamide
• Synonyms: N-[4-(acetylamino)benzyl]-2-[(tetrahydrofuran-2-ylmethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.307243
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.6687193
• LogD (pH = 7.4): -0.97442484
• Log P: 0.0826108
• Molar Refractivity: 85.2272 cm^3
• Polarizability: 32.644978 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.35
• LOG S: -1.73
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 7