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82558-51-8 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,6-dipropoxy-
CAS No: 82558-51-8 Catalog No: AG00572X MDL No:
Product Description
Catalog Number:
AG00572X
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,6-dipropoxy-
CAS Number:
82558-51-8
Molecular Formula:
C20H28N2O4
Molecular Weight:
360.4473
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,6-dipropoxybenzamide
InChI:
InChI=1S/C20H28N2O4/c1-6-11-24-14-9-8-10-15(25-12-7-2)18(14)19(23)21-17-13-16(22-26-17)20(3,4)5/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,23)
InChI Key:
NZEFTQISLSNHNG-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1C(=O)Nc1onc(c1)C(C)(C)C)OCCC
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.205g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.454g/mol
Monoisotopic Mass:
360.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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