Cas no 918519-17-2 (Benzenepropanamide, N-methoxy-N-methyl-4-(1-methylethyl)-)
918519-17-2 structure
Product Name:Benzenepropanamide, N-methoxy-N-methyl-4-(1-methylethyl)-
CAS No:918519-17-2
MF:C14H21NO2
MW:235.32204413414
CID:773904
PubChem ID:59444016
Update Time:2025-04-19
Benzenepropanamide, N-methoxy-N-methyl-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanamide, N-methoxy-N-methyl-4-(1-methylethyl)-
- N-methoxy-N-methyl-3-(4-propan-2-ylphenyl)propanamide
- 918519-17-2
- SCHEMBL13227201
- N-Methoxy-N-methyl-3-[4-(propan-2-yl)phenyl]propanamide
- DTXSID70732043
-
- Inchi: 1S/C14H21NO2/c1-11(2)13-8-5-12(6-9-13)7-10-14(16)15(3)17-4/h5-6,8-9,11H,7,10H2,1-4H3
- InChI Key: YVLCMBCCHAJFHL-UHFFFAOYSA-N
- SMILES: O(C)N(C)C(CCC1C=CC(=CC=1)C(C)C)=O
Computed Properties
- Exact Mass: 235.157228913g/mol
- Monoisotopic Mass: 235.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 232
- 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: 2.8
- Topological Polar Surface Area: 29.5?2
Benzenepropanamide, N-methoxy-N-methyl-4-(1-methylethyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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