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882032-95-3 | Decanamide, N-(3-ethoxy-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-2-hexyl-
CAS No: 882032-95-3 Catalog No: AG004DY3 MDL No:
Product Description
Catalog Number:
AG004DY3
Chemical Name:
Decanamide, N-(3-ethoxy-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-2-hexyl-
CAS Number:
882032-95-3
Molecular Formula:
C21H39N3O3
Molecular Weight:
381.5527
IUPAC Name:
N-(3-ethoxy-5-oxo-4H-pyrazol-1-yl)-2-hexyldecanamide
InChI:
InChI=1S/C21H39N3O3/c1-4-7-9-11-12-14-16-18(15-13-10-8-5-2)21(26)23-24-20(25)17-19(22-24)27-6-3/h18H,4-17H2,1-3H3,(H,23,26)
InChI Key:
MDTSEAYDGCIURR-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)NN1N=C(CC1=O)OCC)CCCCCC
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.299g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.561g/mol
Monoisotopic Mass:
381.299g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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