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20923-63-1

20923-63-1 | Hexanamide, 2-methyl-

CAS No: 20923-63-1 Catalog No: AG002K4C MDL No:

Product Description

Catalog Number:
AG002K4C
Chemical Name:
Hexanamide, 2-methyl-
CAS Number:
20923-63-1
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
IUPAC Name:
2-methylhexanamide
InChI:
InChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChI Key:
ZRLFRWNYFMYZEG-UHFFFAOYSA-N
SMILES:
CC(C(=O)N)CCCC

Properties

Complexity:
90.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.115g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
129.203g/mol
Monoisotopic Mass:
129.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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