Cas no 62685-94-3 (Octanediamide, 2-ethyl-N,N'-diphenyl-)
62685-94-3 structure
Product Name:Octanediamide, 2-ethyl-N,N'-diphenyl-
CAS No:62685-94-3
MF:C22H28N2O2
MW:352.469925880432
CID:435258
PubChem ID:71383822
Update Time:2025-04-19
Octanediamide, 2-ethyl-N,N'-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanediamide, 2-ethyl-N,N'-diphenyl-
- 2-ethyl-N,N'-diphenyloctanediamide
- DTXSID70806112
- 2-Ethyl-N~1~,N~8~-diphenyloctanediamide
- 62685-94-3
-
- Inchi： 1S/C22H28N2O2/c1-2-18(22(26)24-20-15-9-5-10-16-20)12-6-3-11-17-21(25)23-19-13-7-4-8-14-19/h4-5,7-10,13-16,18H,2-3,6,11-12,17H2,1H3,(H,23,25)(H,24,26)
- InChI Key： XTVFMAGBADLCLQ-UHFFFAOYSA-N
- SMILES： O=C(C(CC)CCCCCC(NC1C=CC=CC=1)=O)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 352.21524
- Monoisotopic Mass: 352.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 412
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
Octanediamide, 2-ethyl-N,N'-diphenyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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