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82558-65-4 | Benzamide, N-[3-(1,1-dimethyl-3-butenyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-65-4 Catalog No: AG00572W MDL No:
Product Description
Catalog Number:
AG00572W
Chemical Name:
Benzamide, N-[3-(1,1-dimethyl-3-butenyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-65-4
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
IUPAC Name:
2,6-dimethoxy-N-[3-(2-methylpent-4-en-2-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C18H22N2O4/c1-6-10-18(2,3)14-11-15(24-20-14)19-17(21)16-12(22-4)8-7-9-13(16)23-5/h6-9,11H,1,10H2,2-5H3,(H,19,21)
InChI Key:
PUWQIXJRGVMXFM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1onc(c1)C(CC=C)(C)C)OC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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