(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium

C19H40NO2+ — CID 12573214

IUPAC(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2,3)18-19(21)22-4/h5-18H2,1-4H3/q+1
InChIKeyDRWDZJCXIHIZMZ-UHFFFAOYSA-N
MW314.53 g/mol
LogP4.94
Rot. Bonds15

About (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium

(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium (PubChem CID 12573214) has the molecular formula C19H40NO2+ and a molecular weight of 314.53 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
PubChem CID12573214
Molecular FormulaC19H40NO2+
Molecular Weight314.53 g/mol
Exact Mass314.31
IUPAC Name(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2,3)18-19(21)22-4/h5-18H2,1-4H3/q+1
InChIKeyDRWDZJCXIHIZMZ-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 12573210
dimethyl(dioctadecyl)azanium;methyl octadecanoate
CID 19424818
3-(heptadecanoylamino)propyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 118501458
carboxymethyl-docosyl-dimethylazanium
CID 21149404
(11-methoxy-11-oxoundecyl)-dimethyl-tetradecylazanium bromide
CID 22755533
(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium chloride
CID 156594940
carboxymethyl-hexadecyl-dimethylazanium chloride
CID 21069695
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913
2-[dodecyl(dimethyl)azaniumyl]acetate
CID 172850444
hexyl-bis(11-methoxy-11-oxoundecyl)-methylazanium
CID 127032742
[2-[6-[[2-[dimethyl(octyl)azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-octylazanium
CID 122212878
12-[dimethyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl-dimethyl-[2-(octylamino)-2-oxoethyl]azanium
CID 134154384

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium (CID 12573214) is (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)CC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium?
The InChIKey is DRWDZJCXIHIZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2,3)18-19(21)22-4/h5-18H2,1-4H3/q+1.
What are the key properties of (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium?
(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium has a molecular weight of 314.53 g/mol, XLogP of 4.94, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium is sourced from PubChem (CID 12573214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).