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113800-26-3 | Butanamide, 2-amino-N-(2,6-dimethylphenyl)-3-methyl-, (2R)-
CAS No: 113800-26-3 Catalog No: AG0009Q5 MDL No:
Product Description
Catalog Number:
AG0009Q5
Chemical Name:
Butanamide, 2-amino-N-(2,6-dimethylphenyl)-3-methyl-, (2R)-
CAS Number:
113800-26-3
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
(2R)-2-amino-N-(2,6-dimethylphenyl)-3-methylbutanamide
InChI:
InChI=1S/C13H20N2O/c1-8(2)11(14)13(16)15-12-9(3)6-5-7-10(12)4/h5-8,11H,14H2,1-4H3,(H,15,16)/t11-/m1/s1
InChI Key:
PBFGPILOIKNDPQ-LLVKDONJSA-N
SMILES:
N[C@@H](C(=O)Nc1c(C)cccc1C)C(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of chiral alpha-aminoanilides with central antinociceptive activity. | Journal of medicinal chemistry 20070419 |
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