Cas no 67628-45-9 (N-methylacetohexamide)
N-methylacetohexamide structure
Product Name:N-methylacetohexamide
CAS No:67628-45-9
MF:C16H22N2O4S
MW:338.421883106232
CID:966455
PubChem ID:194259
Update Time:2025-04-19
N-methylacetohexamide Chemical and Physical Properties
Names and Identifiers
-
- N-methylacetohexamide
- 1-(4-acetylphenyl)sulfonyl-3-cyclohexyl-1-methylurea
- DTXSID80217952
- Benzenesulfonamide, 4-acetyl-N-((cyclohexylamino)carbonyl)-N-methyl-
- LJUVADVEZRRERT-UHFFFAOYSA-N
- Acetohexamide, N-methyl-
- 67628-45-9
-
- Inchi： 1S/C16H22N2O4S/c1-12(19)13-8-10-15(11-9-13)23(21,22)18(2)16(20)17-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,17,20)
- InChI Key： LJUVADVEZRRERT-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(C)=O)=CC=1)(N(C)C(NC1CCCCC1)=O)(=O)=O
Computed Properties
- Exact Mass: 338.13016
- Monoisotopic Mass: 338.13002836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 527
- 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: 2.7
- Topological Polar Surface Area: 91.9?2
Experimental Properties
- PSA: 83.55
N-methylacetohexamide Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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