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117066-23-6 | Propanamide, 2-(acetylamino)-N-(phenylmethyl)-, (2R)-
CAS No: 117066-23-6 Catalog No: AG000DO3 MDL No:
Product Description
Catalog Number:
AG000DO3
Chemical Name:
Propanamide, 2-(acetylamino)-N-(phenylmethyl)-, (2R)-
CAS Number:
117066-23-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(2R)-2-acetamido-N-benzylpropanamide
InChI:
InChI=1S/C12H16N2O2/c1-9(14-10(2)15)12(16)13-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChI Key:
BPFHGNNTKPHSPW-SECBINFHSA-N
SMILES:
C[C@H](C(=O)NCc1ccccc1)NC(=O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Primary amino acid derivatives: compounds with anticonvulsant and neuropathic pain protection activities. | Journal of medicinal chemistry 20110714 |
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