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1,3-Propylenebisdecanamide,NSC138537,5557-02-8, N-[3-(decanoylamino)pr

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摘 要:1,3-Propylenebisdecanamide,NSC138537,5557-02-8, N-[3-(decanoylamino)propyl]decanamide,Canonical SMILES: CCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCC,InChI: InChI=1/C23H46N2O2/c1-3-5-7-9-11-13-15-18-22(26)24-20-17-21-25-23(27)19-,16-14-12-10-8-6-4-2/h3-21H2,1-2H
[Synonyms]
1,3-Propylenebisdecanamide
NSC138537
5557-02-8

[Structure]
1,3-Propylenebisdecanamide,NSC138537,5557-02-8, N-[3-(decanoylamino)pr

[ Properties Computed from Structure]
Molecular Weight382.62354 [g/mol]
Molecular FormulaC23H46N2O2
XLogP6.6
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count20
Tautomer Count3
Exact Mass382.355929
MonoIsotopic Mass382.355929
Topological Polar Surface Area58.2
Heavy Atom Count27
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[3-(decanoylamino)propyl]decanamide
Canonical SMILES: CCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCC
InChI: InChI=1/C23H46N2O2/c1-3-5-7-9-11-13-15-18-22(26)24-20-17-21-25-23(27)19-
16-14-12-10-8-6-4-2/h3-21H2,1-2H3,(H,24,26)(H,25,27)/f/h24-25H

 
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