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208188-23-2 | Benzamide, 4-(1,1-dimethylethyl)-N-methoxy-N-methyl-
CAS No: 208188-23-2 Catalog No: AG002JKA MDL No:MFCD06662541
Product Description
Catalog Number:
AG002JKA
Chemical Name:
Benzamide, 4-(1,1-dimethylethyl)-N-methoxy-N-methyl-
CAS Number:
208188-23-2
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD06662541
IUPAC Name:
4-tert-butyl-N-methoxy-N-methylbenzamide
InChI:
InChI=1S/C13H19NO2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)16-5/h6-9H,1-5H3
InChI Key:
XXLVUAPKIAQHFL-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1ccc(cc1)C(C)(C)C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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