magnesium bis(2-(dodecanoylamino)acetate)

C28H52MgN2O6 — CID 140975792

IUPACmagnesium bis(2-(dodecanoylamino)acetate)
SMILESCCCCCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCCCCCC(=O)NCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C14H27NO3.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2*2-12H2,1H3,(H,15,16)(H,17,18);/q;;+2/p-2
InChIKeySGNKNMONPFIPSV-UHFFFAOYSA-L
MW537.04 g/mol
LogP3.17
Rot. Bonds24

About magnesium bis(2-(dodecanoylamino)acetate)

magnesium bis(2-(dodecanoylamino)acetate) (PubChem CID 140975792) has the molecular formula C28H52MgN2O6 and a molecular weight of 537.04 g/mol. Its IUPAC name is magnesium bis(2-(dodecanoylamino)acetate).

Molecular Properties

Compound Namemagnesium bis(2-(dodecanoylamino)acetate)
PubChem CID140975792
Molecular FormulaC28H52MgN2O6
Molecular Weight537.04 g/mol
Exact Mass536.37
IUPAC Namemagnesium bis(2-(dodecanoylamino)acetate)
SMILESCCCCCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCCCCCC(=O)NCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C14H27NO3.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2*2-12H2,1H3,(H,15,16)(H,17,18);/q;;+2/p-2
InChIKeySGNKNMONPFIPSV-UHFFFAOYSA-L
XLogP3.17
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.04
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
copper bis(2-(octanoylamino)acetate)
CID 88618270
sodium 2-(decanoylamino)acetate
CID 23716190
N-(hydroxymethyl)henicosanamide
CID 102116485
zinc bis(2-(butanoylamino)acetate)
CID 157281731
calcium bis(3-(hexadecanoylamino)propanoate)
CID 139890538
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(dodecanoylamino)acetate)?
The IUPAC name of magnesium bis(2-(dodecanoylamino)acetate) (CID 140975792) is magnesium bis(2-(dodecanoylamino)acetate).
What is the SMILES notation for magnesium bis(2-(dodecanoylamino)acetate)?
The canonical SMILES for magnesium bis(2-(dodecanoylamino)acetate) is CCCCCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCCCCCC(=O)NCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-(dodecanoylamino)acetate)?
The InChIKey is SGNKNMONPFIPSV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H27NO3.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2*2-12H2,1H3,(H,15,16)(H,17,18);/q;;+2/p-2.
What are the key properties of magnesium bis(2-(dodecanoylamino)acetate)?
magnesium bis(2-(dodecanoylamino)acetate) has a molecular weight of 537.04 g/mol, XLogP of 3.17, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(dodecanoylamino)acetate) is sourced from PubChem (CID 140975792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).