Cas no 263553-49-7 (Benzamide, N-ethyl-3-hydroxy-5-methyl-N-(1-methylethyl)-)
263553-49-7 structure
Product Name:Benzamide, N-ethyl-3-hydroxy-5-methyl-N-(1-methylethyl)-
CAS No:263553-49-7
MF:C13H19NO2
MW:221.29546380043
CID:1426837
PubChem ID:11172073
Update Time:2025-04-20
Benzamide, N-ethyl-3-hydroxy-5-methyl-N-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-ethyl-3-hydroxy-5-methyl-N-(1-methylethyl)-
- 263553-49-7
- N-Ethyl-3-hydroxy-N-isopropyl-5-methylbenzamide
- XHMUTSRDZVYYMG-UHFFFAOYSA-N
- A1-44145
- SCHEMBL7241344
-
- Inchi： 1S/C13H19NO2/c1-5-14(9(2)3)13(16)11-6-10(4)7-12(15)8-11/h6-9,15H,5H2,1-4H3
- InChI Key： XHMUTSRDZVYYMG-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C=C(C)C=1)O)N(CC)C(C)C
Computed Properties
- Exact Mass: 221.14167
- Monoisotopic Mass: 221.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.54
Benzamide, N-ethyl-3-hydroxy-5-methyl-N-(1-methylethyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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