magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)

C28H40MgN2O8 — CID 158348116

IUPACmagnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
SMILESO=C([O-])COCC(=O)NC1C2CC3CC(C2)CC1C3.O=C([O-])COCC(=O)NC1C2CC3CC(C2)CC1C3.[Mg+2]
InChIInChI=1S/2C14H21NO4.Mg/c2*16-12(6-19-7-13(17)18)15-14-10-2-8-1-9(4-10)5-11(14)3-8;/h2*8-11,14H,1-7H2,(H,15,16)(H,17,18);/q;;+2/p-2
InChIKeyGRZGLOPWRYLKGX-UHFFFAOYSA-L
MW556.94 g/mol
LogP-0.99
Rot. Bonds10

About magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)

magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate) (PubChem CID 158348116) has the molecular formula C28H40MgN2O8 and a molecular weight of 556.94 g/mol. Its IUPAC name is magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate).

Molecular Properties

Compound Namemagnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
PubChem CID158348116
Molecular FormulaC28H40MgN2O8
Molecular Weight556.94 g/mol
Exact Mass556.26
IUPAC Namemagnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
SMILESO=C([O-])COCC(=O)NC1C2CC3CC(C2)CC1C3.O=C([O-])COCC(=O)NC1C2CC3CC(C2)CC1C3.[Mg+2]
InChIInChI=1S/2C14H21NO4.Mg/c2*16-12(6-19-7-13(17)18)15-14-10-2-8-1-9(4-10)5-11(14)3-8;/h2*8-11,14H,1-7H2,(H,15,16)(H,17,18);/q;;+2/p-2
InChIKeyGRZGLOPWRYLKGX-UHFFFAOYSA-L
XLogP-0.99
TPSA156.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.94
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(2-Adamantylamino)-2-oxoethoxy]acetic acid
CID 20285861
Magnesium bis(2-[2-(1-adamantylamino)-2-oxoethoxy]acetate)
CID 140325438
Magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
CID 140330819
Magnesium bis(2-[2-(1-adamantylamino)-2-oxoethoxy]acetate)
CID 157491649
[2-(2-Adamantylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2377056
[2-[1-(1-Adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate
CID 4273830
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 7364862
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 7364864
2-[2-(2-Adamantylamino)-2-oxoethoxy]acetate
CID 20285860
N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide
CID 78798815
N-(2-adamantyl)-2-(2-aminoethoxy)acetamide
CID 79473304

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)?
The IUPAC name of magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate) (CID 158348116) is magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate).
What is the SMILES notation for magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)?
The canonical SMILES for magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate) is O=C([O-])COCC(=O)NC1C2CC3CC(C2)CC1C3.O=C([O-])COCC(=O)NC1C2CC3CC(C2)CC1C3.[Mg+2].
What is the InChIKey of magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)?
The InChIKey is GRZGLOPWRYLKGX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H21NO4.Mg/c2*16-12(6-19-7-13(17)18)15-14-10-2-8-1-9(4-10)5-11(14)3-8;/h2*8-11,14H,1-7H2,(H,15,16)(H,17,18);/q;;+2/p-2.
What are the key properties of magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)?
magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate) has a molecular weight of 556.94 g/mol, XLogP of -0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate) is sourced from PubChem (CID 158348116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).