Cas no 646034-69-7 (2-Butenamide, N-[4-(acetylamino)phenyl]-, (2E)-)
![2-Butenamide, N-[4-(acetylamino)phenyl]-, (2E)- structure](https://ossimg.kuujia.com/scimg/646500/646034-69-7x500.png)
646034-69-7 structure
Product Name:2-Butenamide, N-[4-(acetylamino)phenyl]-, (2E)-
CAS No:646034-69-7
MF:C12H14N2O2
MW:218.251762866974
CID:422410
PubChem ID:765113
Update Time:2025-04-19
2-Butenamide, N-[4-(acetylamino)phenyl]-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenamide, N-[4-(acetylamino)phenyl]-, (2E)-
- N-(4-acetamidophenyl)but-2-enamide
- 646034-69-7
- DTXSID00354156
- AKOS017260765
- CBDivE_014011
-
- Inchi： 1S/C12H14N2O2/c1-3-4-12(16)14-11-7-5-10(6-8-11)13-9(2)15/h3-8H,1-2H3,(H,13,15)(H,14,16)
- InChI Key： OXVQGGGIMGHRPQ-UHFFFAOYSA-N
- SMILES： O=C(C=CC)NC1C=CC(=CC=1)NC(C)=O
Computed Properties
- Exact Mass: 218.10562
- Monoisotopic Mass: 218.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
2-Butenamide, N-[4-(acetylamino)phenyl]-, (2E)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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