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82558-63-2 | Benzamide, N-[3-(1-ethyl-1-methylbutyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-63-2 Catalog No: AG008IU1 MDL No:
Product Description
Catalog Number:
AG008IU1
Chemical Name:
Benzamide, N-[3-(1-ethyl-1-methylbutyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-63-2
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
IUPAC Name:
2,6-dimethoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C19H26N2O4/c1-6-11-19(3,7-2)15-12-16(25-21-15)20-18(22)17-13(23-4)9-8-10-14(17)24-5/h8-10,12H,6-7,11H2,1-5H3,(H,20,22)
InChI Key:
DXDJQKBTFSZOKK-UHFFFAOYSA-N
SMILES:
CCCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.427g/mol
Monoisotopic Mass:
346.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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