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Chemical structure of N,N,N′,N′-Tetracyclohexyl-3-oxapentanediamide

GC63657

N,N,N′,N′-Tetracyclohexyl-3-oxapentanediamide

Also known as N,N-dicyclohexyl-2-[2-(dicyclohexylamino)-2-oxoethoxy]acetamide

N,N,N′,N′-Tetracyclohexyl-3-oxapentanediamide (Calcium ionophore II) is a lipophilic ionophore that can be used in preparing calcium ion-selective electrode

ChemicalCAS74267-27-9MW460.69FormulaC28H48N2O3
CAS number
74267-27-9
Molecular weight
460.69
Formula
C28H48N2O3
Solubility
DMSO : 2·94 mg/mL (6·38 mM; ultrasonic and warming and heat to 60°C)
InChIKey
URAUKAJXWWFQSU-UHFFFAOYSA-N
Catalogue number
GC63657
Brand
GLPBIO
Computed properties PubChem CID 194578 · XLogP 6.4 · TPSA 49.9 Ų · H-bond donors 0
XLogP
6.4
TPSA
49.9 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
33

SMILES C1CCC(CC1)N(C2CCCCC2)C(=O)COCC(=O)N(C3CCCCC3)C4CCCCC4

Computed descriptors from PubChem (CID 194578), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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