Cas no 894588-98-8 (N-Benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide)
![N-Benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide structure](https://ossimg.kuujia.com/scimg/895000/894588-98-8x500.png)
894588-98-8 structure
Product Name:N-Benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CAS No:894588-98-8
MF:C16H18N2O2
MW:270.326323986053
CID:2110100
Update Time:2023-08-04
N-Benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide Chemical and Physical Properties
Names and Identifiers
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- N-benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
- HMS1640L13
- UNM000003636501
- N-benzyl-N-methyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
- N-Benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
-
- Inchi： 1S/C16H18N2O2/c1-18(11-12-7-3-2-4-8-12)16(19)15-13-9-5-6-10-14(13)20-17-15/h2-4,7-8H,5-6,9-11H2,1H3
- InChI Key： PUGHAJXYKMWQLF-UHFFFAOYSA-N
- SMILES： O1C2CCCCC=2C(C(N(C)CC2C=CC=CC=2)=O)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 341
- Topological Polar Surface Area: 46.3
N-Benzyl-N-methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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