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113582-42-6

113582-42-6 | Butanamide, 2-amino-3,3-dimethyl-

CAS No: 113582-42-6 Catalog No: AG00091V MDL No:MFCD14625456

Product Description

Catalog Number:
AG00091V
Chemical Name:
Butanamide, 2-amino-3,3-dimethyl-
CAS Number:
113582-42-6
Molecular Formula:
C6H14N2O
Molecular Weight:
130.1882
MDL Number:
MFCD14625456
IUPAC Name:
2-amino-3,3-dimethylbutanamide
InChI:
InChI=1S/C6H14N2O/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H2,8,9)
InChI Key:
QCVCCWSPZIUXEA-UHFFFAOYSA-N
SMILES:
NC(C(C)(C)C)C(=O)N

Properties

Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.111g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.191g/mol
Monoisotopic Mass:
130.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Literature

Title Journal
Primary amino acid derivatives: substitution of the 4'-N'-benzylamide site in (R)-N'-benzyl 2-amino-3-methylbutanamide, (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide, and (R)-N'-benzyl 2-amino-3-methoxypropionamide provides potent anticonvulsants with pain-attenuating properties. Journal of medicinal chemistry 20111013

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