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115176-11-9 | Pentanamide, 2-cyano-N-(4-ethoxyphenyl)-2-(1-methylethyl)-, (R)- (9CI)
CAS No: 115176-11-9 Catalog No: AG000GD9 MDL No:
Product Description
Catalog Number:
AG000GD9
Chemical Name:
Pentanamide, 2-cyano-N-(4-ethoxyphenyl)-2-(1-methylethyl)-, (R)- (9CI)
CAS Number:
115176-11-9
Molecular Formula:
C17H24N2O2
Molecular Weight:
288.3847
IUPAC Name:
2-cyano-N-(4-ethoxyphenyl)-2-propan-2-ylpentanamide
InChI:
InChI=1S/C17H24N2O2/c1-5-11-17(12-18,13(3)4)16(20)19-14-7-9-15(10-8-14)21-6-2/h7-10,13H,5-6,11H2,1-4H3,(H,19,20)
InChI Key:
GQWDTOFFXWSJPF-UHFFFAOYSA-N
SMILES:
CCC[C@@](C(=O)Nc1ccc(cc1)OCC)(C(C)C)C#N
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.391g/mol
Monoisotopic Mass:
288.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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