2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate

C15H32NO7P — CID 10215711

IUPAC2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate
SMILESCCCCCCCCCC(=O)NCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C15H32NO7P/c1-2-3-4-5-6-7-8-9-15(19)16-10-11-22-24(20,21)23-13-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19)(H,20,21)
InChIKeyBBOGBOKIDQJVBT-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.73
Rot. Bonds16

About 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate

2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate (PubChem CID 10215711) has the molecular formula C15H32NO7P and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate.

Molecular Properties

Compound Name2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate
PubChem CID10215711
Molecular FormulaC15H32NO7P
Molecular Weight369.40 g/mol
Exact Mass369.19
IUPAC Name2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate
SMILESCCCCCCCCCC(=O)NCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C15H32NO7P/c1-2-3-4-5-6-7-8-9-15(19)16-10-11-22-24(20,21)23-13-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19)(H,20,21)
InChIKeyBBOGBOKIDQJVBT-UHFFFAOYSA-N
XLogP1.73
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(heptadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] undecanoate
CID 165227474
[2-hydroxy-3-[hydroxy-[2-(nonadecanoylamino)ethoxy]phosphoryl]oxypropyl] henicosanoate
CID 165320749
[3-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] undecanoate
CID 165254954
[2-hydroxy-3-[hydroxy-[2-(undecanoylamino)ethoxy]phosphoryl]oxypropyl] tridecanoate
CID 165331925
[3-[2-(hexacosanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexanoate
CID 165274703
[3-[2-(hexacosanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] decanoate
CID 165290668
[3-[2-(henicosanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexanoate
CID 165275301
[2-hydroxy-3-[hydroxy-[2-(tetradecanoylamino)ethoxy]phosphoryl]oxypropyl] nonadecanoate
CID 165319622
[3-[2-(dodecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] octanoate
CID 165335080
[2-hydroxy-3-[hydroxy-[2-(nonanoylamino)ethoxy]phosphoryl]oxypropyl] tricosanoate
CID 165320693
[3-[2-(heptadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] heptacosanoate
CID 165215495
[3-[2-(hexanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] octadecanoate
CID 165305531

Frequently Asked Questions

What is the IUPAC name of 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate?
The IUPAC name of 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate (CID 10215711) is 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate.
What is the SMILES notation for 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate?
The canonical SMILES for 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate is CCCCCCCCCC(=O)NCCOP(=O)(O)OCC(O)CO.
What is the InChIKey of 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate?
The InChIKey is BBOGBOKIDQJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO7P/c1-2-3-4-5-6-7-8-9-15(19)16-10-11-22-24(20,21)23-13-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate?
2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate has a molecular weight of 369.40 g/mol, XLogP of 1.73, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate is sourced from PubChem (CID 10215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).