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114007-48-6 | Heptanamide, N-(2,6-diethylphenyl)-3-oxo-
CAS No: 114007-48-6 Catalog No: AG000AAV MDL No:
Product Description
Catalog Number:
AG000AAV
Chemical Name:
Heptanamide, N-(2,6-diethylphenyl)-3-oxo-
CAS Number:
114007-48-6
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
N-(2,6-diethylphenyl)-3-oxoheptanamide
InChI:
InChI=1S/C17H25NO2/c1-4-7-11-15(19)12-16(20)18-17-13(5-2)9-8-10-14(17)6-3/h8-10H,4-7,11-12H2,1-3H3,(H,18,20)
InChI Key:
YBEZOTVLEHCMKB-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(=O)Nc1c(CC)cccc1CC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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