[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium

C23H49N2O3+ — CID 175579288

IUPAC[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCCCCCCC(CO)N(CCO)C(=O)C[N+](C)(C)C
InChIInChI=1S/C23H49N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21-27)24(18-19-26)23(28)20-25(2,3)4/h22,26-27H,5-21H2,1-4H3/q+1
InChIKeyPFEWNNCVEMBTQF-UHFFFAOYSA-N
MW401.66 g/mol
LogP3.97
Rot. Bonds19

About [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium

[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium (PubChem CID 175579288) has the molecular formula C23H49N2O3+ and a molecular weight of 401.66 g/mol. Its IUPAC name is [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
PubChem CID175579288
Molecular FormulaC23H49N2O3+
Molecular Weight401.66 g/mol
Exact Mass401.37
IUPAC Name[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCCCCCCC(CO)N(CCO)C(=O)C[N+](C)(C)C
InChIInChI=1S/C23H49N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21-27)24(18-19-26)23(28)20-25(2,3)4/h22,26-27H,5-21H2,1-4H3/q+1
InChIKeyPFEWNNCVEMBTQF-UHFFFAOYSA-N
XLogP3.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.66
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-pentan-3-ylnonanamide
CID 54994470
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
2-[bis(2-hydroxyethyl)amino]hexadecan-1-ol;sulfuric acid
CID 162089252
(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
CID 54563283
azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid
CID 174235324
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
[2-[2-hydroxyethyl-[15-(hydroxymethyl)nonacosan-15-yl]amino]-2-oxoethyl]-trimethylazanium chloride
CID 175929673
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
[2-[bis[2-(1-hydroxytetradecoxy)ethyl]amino]-2-oxoethyl]-trimethylazanium chloride
CID 87172451
methyl 3-[tetracosan-11-yl(tetradecanoyl)amino]propanoate
CID 123456537
N-heptadecan-9-yl-8-[2-hydroxyethyl-[6-[methyl(undecyl)amino]-6-oxohexyl]amino]-N-methyloctanamide
CID 171562649
(2S)-1,2,4-trihydroxynonadecan-3-one
CID 56628431

Frequently Asked Questions

What is the IUPAC name of [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium (CID 175579288) is [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium is CCCCCCCCCCCCCCC(CO)N(CCO)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium?
The InChIKey is PFEWNNCVEMBTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21-27)24(18-19-26)23(28)20-25(2,3)4/h22,26-27H,5-21H2,1-4H3/q+1.
What are the key properties of [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium?
[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium has a molecular weight of 401.66 g/mol, XLogP of 3.97, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 175579288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).