[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid

C18H38NO5P — CID 131769777

IUPAC[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(O)CP(=O)(O)O
InChIInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16-25(22,23)24/h18,21H,2-16H2,1H3,(H,19,20)(H2,22,23,24)
InChIKeyREFUVLFHSVMCAO-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.08
Rot. Bonds17

About [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid

[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid (PubChem CID 131769777) has the molecular formula C18H38NO5P and a molecular weight of 379.48 g/mol. Its IUPAC name is [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid
PubChem CID131769777
Molecular FormulaC18H38NO5P
Molecular Weight379.48 g/mol
Exact Mass379.25
IUPAC Name[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(O)CP(=O)(O)O
InChIInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16-25(22,23)24/h18,21H,2-16H2,1H3,(H,19,20)(H2,22,23,24)
InChIKeyREFUVLFHSVMCAO-UHFFFAOYSA-N
XLogP4.08
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxyethyldimethyl-3-stearamidopropylammonium phosphate
CID 19573
Stearamidoethyl ethanolamine monophosphate
CID 109575
N-(1-dimethoxyphosphoryl-2-hydroxyethyl)octadecanamide
CID 44189883
[2-Hydroxy-1-(octadecanoylamino)ethyl]phosphonic acid
CID 44189966
Octadecanamide, N-(2-hydroxyethyl)-N-(2-((1-oxooctadecyl)amino)ethyl)-, phosphate (1:1)
CID 109622
[(3S)-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid
CID 44456263
[3-(Hexadecanoylamino)-2-hydroxypropyl]phosphonic acid
CID 44456266
[3-(Hexadecanoylamino)-2-oxopropyl]phosphonic acid
CID 44456308
N-(1-hydroxyethyl)octadecanamide
CID 23619364
N-(1-hydroxyethyl)tetradecanamide
CID 57173167
n-Palmitoylpropanolamine
CID 87087553
N-[(1S)-3-amino-1-[fluoro(methoxy)phosphoryl]-3-hydroxypropyl]octanamide
CID 166884677

Frequently Asked Questions

What is the IUPAC name of [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid?
The IUPAC name of [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid (CID 131769777) is [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid.
What is the SMILES notation for [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid?
The canonical SMILES for [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid is CCCCCCCCCCCCCCCC(=O)NC(O)CP(=O)(O)O.
What is the InChIKey of [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid?
The InChIKey is REFUVLFHSVMCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16-25(22,23)24/h18,21H,2-16H2,1H3,(H,19,20)(H2,22,23,24).
What are the key properties of [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid?
[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid has a molecular weight of 379.48 g/mol, XLogP of 4.08, 17 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid is sourced from PubChem (CID 131769777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).