1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate

C23H47NO3 — CID 175573015

IUPAC1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].CCCCCCCCCCCCCC[N+](C)(C)C(C)OC
InChIInChI=1S/C19H42NO.C4H6O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3,4)19(2)21-5;1-3(2)4(5)6/h19H,6-18H2,1-5H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyCRWCRNHFJUMQLR-UHFFFAOYSA-M
MW385.63 g/mol
LogP5.07
Rot. Bonds16

About 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate

1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate (PubChem CID 175573015) has the molecular formula C23H47NO3 and a molecular weight of 385.63 g/mol. Its IUPAC name is 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate.

Molecular Properties

Compound Name1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
PubChem CID175573015
Molecular FormulaC23H47NO3
Molecular Weight385.63 g/mol
Exact Mass385.36
IUPAC Name1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].CCCCCCCCCCCCCC[N+](C)(C)C(C)OC
InChIInChI=1S/C19H42NO.C4H6O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3,4)19(2)21-5;1-3(2)4(5)6/h19H,6-18H2,1-5H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyCRWCRNHFJUMQLR-UHFFFAOYSA-M
XLogP5.07
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.63
LogP ≤ 55.07
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate 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

dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
CID 171783669
1-methoxyethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 174493549
dimethyl-(1-octadecanoyloxyethyl)-octadecylazanium
CID 87530867
dodecan-1-olate;2-methylprop-2-enoate;propan-2-olate;tetradecan-1-olate;titanium(4+)
CID 170845189
1-methoxyethyl-dimethyl-propylazanium
CID 87324332
dimethyl-pentyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 171783670
1-carboxyethyl-dodecyl-dimethylazanium
CID 19028565
2-[dodecyl(dimethyl)azaniumyl]acetate
CID 172850444
trimethyl(undecyl)azanium acetate
CID 174998472

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate?
The IUPAC name of 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate (CID 175573015) is 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate.
What is the SMILES notation for 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate?
The canonical SMILES for 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate is C=C(C)C(=O)[O-].CCCCCCCCCCCCCC[N+](C)(C)C(C)OC.
What is the InChIKey of 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate?
The InChIKey is CRWCRNHFJUMQLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42NO.C4H6O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3,4)19(2)21-5;1-3(2)4(5)6/h19H,6-18H2,1-5H3;1H2,2H3,(H,5,6)/q+1;/p-1.
What are the key properties of 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate?
1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate has a molecular weight of 385.63 g/mol, XLogP of 5.07, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate is sourced from PubChem (CID 175573015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).