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30533-83-6 | Benzamide, 5-amino-N-(3-methylbutyl)-2-(2-propyn-1-yloxy)-
CAS No: 30533-83-6 Catalog No: AG0030GD MDL No:
Product Description
Catalog Number:
AG0030GD
Chemical Name:
Benzamide, 5-amino-N-(3-methylbutyl)-2-(2-propyn-1-yloxy)-
CAS Number:
30533-83-6
Molecular Formula:
C15H20N2O2
Molecular Weight:
260.3315
IUPAC Name:
5-amino-N-(3-methylbutyl)-2-prop-2-ynoxybenzamide
InChI:
InChI=1S/C15H20N2O2/c1-4-9-19-14-6-5-12(16)10-13(14)15(18)17-8-7-11(2)3/h1,5-6,10-11H,7-9,16H2,2-3H3,(H,17,18)
InChI Key:
DBTWYVYZXAQYSL-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1C(=O)NCCC(C)C)N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.337g/mol
Monoisotopic Mass:
260.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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