Cas no 176181-95-6 (Acetamide, N-[3-[[2-(2,4-dibromo-5-methoxyphenyl)ethyl]methylamino]propyl]-)
![Acetamide, N-[3-[[2-(2,4-dibromo-5-methoxyphenyl)ethyl]methylamino]propyl]- structure](https://ossimg.kuujia.com/scimg/176500/176181-95-6x500.png)
176181-95-6 structure
Product Name:Acetamide, N-[3-[[2-(2,4-dibromo-5-methoxyphenyl)ethyl]methylamino]propyl]-
CAS No:176181-95-6
MF:C15H22Br2N2O2
MW:422.155382633209
CID:235871
PubChem ID:10550134
Update Time:2025-04-19
Acetamide, N-[3-[[2-(2,4-dibromo-5-methoxyphenyl)ethyl]methylamino]propyl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-[3-[[2-(2,4-dibromo-5-methoxyphenyl)ethyl]methylamino]propyl]-
- Volutamide A
- N-[3-[2-(2,4-dibromo-5-methoxyphenyl)ethyl-methylamino]propyl]acetamide
- 176181-95-6
- DTXSID20441613
-
- Inchi： 1S/C15H22Br2N2O2/c1-11(20)18-6-4-7-19(2)8-5-12-9-15(21-3)14(17)10-13(12)16/h9-10H,4-8H2,1-3H3,(H,18,20)
- InChI Key： LTWRZAFUDSYWJP-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1CCN(C)CCCNC(C)=O)OC)Br
Computed Properties
- Exact Mass: 420.00486
- Monoisotopic Mass: 420.00480g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 318
- 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: 3.2
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.57
Acetamide, N-[3-[[2-(2,4-dibromo-5-methoxyphenyl)ethyl]methylamino]propyl]- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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