N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium

C24H54N2O7P+ — CID 88687437

IUPACN-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium
SMILESCCCCCCCCCCCCCCCC(=O)NCC(O)CO.C[N+](C)(C)C(CO)P(=O)(O)O
InChIInChI=1S/C19H39NO3.C5H14NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-16-18(22)17-21;1-6(2,3)5(4-7)11(8,9)10/h18,21-22H,2-17H2,1H3,(H,20,23);5,7H,4H2,1-3H3,(H-,8,9,10)/p+1
InChIKeyXTESNPABGHZYCI-UHFFFAOYSA-O
MW513.68 g/mol
LogP3.13
Rot. Bonds20

About N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium

N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium (PubChem CID 88687437) has the molecular formula C24H54N2O7P+ and a molecular weight of 513.68 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium
PubChem CID88687437
Molecular FormulaC24H54N2O7P+
Molecular Weight513.68 g/mol
Exact Mass513.37
IUPAC NameN-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium
SMILESCCCCCCCCCCCCCCCC(=O)NCC(O)CO.C[N+](C)(C)C(CO)P(=O)(O)O
InChIInChI=1S/C19H39NO3.C5H14NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-16-18(22)17-21;1-6(2,3)5(4-7)11(8,9)10/h18,21-22H,2-17H2,1H3,(H,20,23);5,7H,4H2,1-3H3,(H-,8,9,10)/p+1
InChIKeyXTESNPABGHZYCI-UHFFFAOYSA-O
XLogP3.13
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 53.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
4-(decanoylamino)-3-hydroxybutanoic acid
CID 23163718
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
(2R)-3-(dodecanoylamino)-N,N-diethyl-2-hydroxypropan-1-amine oxide
CID 98397407
[2-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
CID 15872431
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate
CID 10215711

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium?
The IUPAC name of N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium (CID 88687437) is N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium.
What is the SMILES notation for N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium?
The canonical SMILES for N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium is CCCCCCCCCCCCCCCC(=O)NCC(O)CO.C[N+](C)(C)C(CO)P(=O)(O)O.
What is the InChIKey of N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium?
The InChIKey is XTESNPABGHZYCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H39NO3.C5H14NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-16-18(22)17-21;1-6(2,3)5(4-7)11(8,9)10/h18,21-22H,2-17H2,1H3,(H,20,23);5,7H,4H2,1-3H3,(H-,8,9,10)/p+1.
What are the key properties of N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium?
N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium has a molecular weight of 513.68 g/mol, XLogP of 3.13, 20 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)hexadecanamide;(2-hydroxy-1-phosphonoethyl)-trimethylazanium is sourced from PubChem (CID 88687437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).