2-amino-N-methyl-N-[(4-phenoxyphenyl)methyl]acetamide

• ChemBase ID: 567401
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: C(=O)(N(Cc1ccc(Oc2ccccc2)cc1)C)CN
• Canonical SMILES: NCC(=O)N(Cc1ccc(cc1)Oc1ccccc1)C
• InChI: InChI=1S/C16H18N2O2/c1-18(16(19)11-17)12-13-7-9-15(10-8-13)20-14-5-3-2-4-6-14/h2-10H,11-12,17H2,1H3
• InChIKey: JCXDSWVNGXARFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-[(4-phenoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-amino-N-methyl-N-[(4-phenoxyphenyl)methyl]acetamide
• Synonyms: N~1~-methyl-N~1~-(4-phenoxybenzyl)glycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.77020574
• LogD (pH = 7.4): 0.9138823
• Log P: 1.7176943
• Molar Refractivity: 78.4724 cm^3
• Polarizability: 30.759186 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.32
• LOG S: -3.15
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5