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100368-58-9 | Acetamide, N-[1-(phenylmethyl)propyl]-
CAS No: 100368-58-9 Catalog No: AG0001QE MDL No:
Product Description
Catalog Number:
AG0001QE
Chemical Name:
Acetamide, N-[1-(phenylmethyl)propyl]-
CAS Number:
100368-58-9
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
N-(1-phenylbutan-2-yl)acetamide
InChI:
InChI=1S/C12H17NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,13,14)
InChI Key:
IFBDSFPIBUTERT-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1)NC(=O)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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