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Home > Indoles and Oxindole > 80565-42-0
80565-42-0 | 1H-Indole-3-acetamide,2-(3-ethyl-5-methyl-4-isoxazolyl)-N,N-dimethyl-a-oxo-
CAS No: 80565-42-0 Catalog No: AG0052G4 MDL No:
Product Description
Catalog Number:
AG0052G4
Chemical Name:
1H-Indole-3-acetamide,2-(3-ethyl-5-methyl-4-isoxazolyl)-N,N-dimethyl-a-oxo-
CAS Number:
80565-42-0
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
IUPAC Name:
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethyl-1H-indol-2-yl]-2-oxoacetamide
InChI:
InChI=1S/C17H17N3O3/c1-7-11(14-9(3)20-23-10(14)4)5-6-12-13(7)8(2)15(19-12)16(21)17(18)22/h5-6,19H,1-4H3,(H2,18,22)
InChI Key:
NKARACLFSYYTFN-UHFFFAOYSA-N
SMILES:
Cc1noc(c1c1ccc2c(c1C)c(C)c([nH]2)C(=O)C(=O)N)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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