28197-69-5 ((Acetamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-)

CAS号:
28197-69-5
英文名称:
Acetamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-
分子式:
C16H24N2O4
分子量:
308.372764587402

Acetamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-(28197-69-5)名称与标识符

名称

英文别名:
Acetamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-;Diacetolol;Acetylacebutolol;28197-69-5;(+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide;Acetanilide, 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, DL-;(1)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide;Q5270217;DTXSID70865421;(+/-)-N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide;ACEBUTOLOL HYDROCHLORIDE IMPURITY B [EP IMPURITY];Z2037280151;4ER0CZ5G7C;SCHEMBL828479;NS00001306;( inverted exclamation markA)-N-[3-Acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide;UNII-4ER0CZ5G7C;AKOS027288882;HY-100635;M and B 16942;Acebutolol impurity B;(+/-)-3'-ACETYL-4'-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)ACETANILIDE;CS-0019867;(+-)-Diacetolol;FT-0666315;BRN 2156350;Diacetolol [INN:BAN];N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)-propoxy)phenyl)acetamide;N-(3-ACETYL-4-((2RS)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)ACETAMIDE;DL-1-(2-Acetyl-4-acetamidophenoxy)-2-hydroxy-3-isopropylaminopropane;EN300-18166916;(+/-)-Diacetolol;E76509;(RS)-1-(2-Acetyl-4-acetamidophenoxy)-2-hydroxy-3-isopropylaminopropane;Diacetololum [INN-Latin];N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide;ACETAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, (+/-)-;N-(3-acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide;ACETAMIDE,N-[3-ACETYL-4-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]PHENYL]-,(?-;Diacetololum;DIACETOLOL [WHO-DD];N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;EINECS 245-088-3;22568-64-5;rac Diacetolol;Acetamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (+-)-;DIACETOLOL [INN];CHEMBL2110821;

标识符

InChIKey:
AWOGXJOBNAWQSF-UHFFFAOYSA-N
Inchi:
1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)
SMILES:
O(C1C=CC(=CC=1C(C)=O)NC(C)=O)CC(CNC(C)C)O

Acetamide,N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-(28197-69-5)物化性质

实验特性

  • LogP : 2.04920
  • PSA : 87.66000
  • 沸点 : 548.8°Cat760mmHg
  • 闪点 : 285.7°C
  • 密度 : 1.152

计算特性

  • 精确分子量 : 308.17400
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 8
  • 同位素质量 : 308.173607
  • 重原子数量 : 22
  • 复杂度 : 373
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.9
  • 拓扑分子极性表面积 : 87.7