Cas no 630100-43-5 (2-Hexadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-2-methyl-, (2E)-)
![2-Hexadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-2-methyl-, (2E)- structure](https://ossimg.kuujia.com/scimg/630500/630100-43-5x500.png)
630100-43-5 structure
Product Name:2-Hexadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-2-methyl-, (2E)-
CAS No:630100-43-5
MF:C20H39NO2
MW:325.529166460037
CID:427736
PubChem ID:71381538
Update Time:2025-04-19
2-Hexadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-2-methyl-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-2-methyl-, (2E)-
- N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide
- 630100-43-5
- DTXSID70803984
- (-)-Semiplenamide C
- Semiplenamide C
-
- Inchi： 1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)20(23)21-19(3)17-22/h16,19,22H,4-15,17H2,1-3H3,(H,21,23)/t19-/m0/s1
- InChI Key： YATFRALIAPYFQO-IBGZPJMESA-N
- SMILES： O=C(C(C)=CCCCCCCCCCCCCC)N[C@@H](C)CO
Computed Properties
- Exact Mass: 325.29827
- Monoisotopic Mass: 325.298079487g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.9
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
2-Hexadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-2-methyl-, (2E)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Yi-Bin Ruan,Alexis Depauw,Isabelle Leray Org. Biomol. Chem., 2014,12, 4335-4341
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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