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82558-59-6 | Benzamide, N-[3-(1,1-dimethylpentyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-59-6 Catalog No: AG004Z5U MDL No:
Product Description
Catalog Number:
AG004Z5U
Chemical Name:
Benzamide, N-[3-(1,1-dimethylpentyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-59-6
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
IUPAC Name:
2,6-dimethoxy-N-[3-(2-methylhexan-2-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C19H26N2O4/c1-6-7-11-19(2,3)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:
NBDIHKBASFOAAS-UHFFFAOYSA-N
SMILES:
CCCCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(C)C
Properties
Complexity:
418
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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