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80819-00-7 | Benzamide, 4-(1,1-dimethylethyl)-N-(4-pyridinylmethyl)-
CAS No: 80819-00-7 Catalog No: AG00517B MDL No:
Product Description
Catalog Number:
AG00517B
Chemical Name:
Benzamide, 4-(1,1-dimethylethyl)-N-(4-pyridinylmethyl)-
CAS Number:
80819-00-7
Molecular Formula:
C17H20N2O
Molecular Weight:
268.3535
IUPAC Name:
4-tert-butyl-N-(pyridin-4-ylmethyl)benzamide
InChI:
InChI=1S/C17H20N2O/c1-17(2,3)15-6-4-14(5-7-15)16(20)19-12-13-8-10-18-11-9-13/h4-11H,12H2,1-3H3,(H,19,20)
InChI Key:
CWNOFWJFSKTFPK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)NCc1ccncc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.36g/mol
Monoisotopic Mass:
268.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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