dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium

C24H42NO2+ — CID 54433707

IUPACdimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC(=O)Oc1ccccc1
InChIInChI=1S/C24H42NO2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25(2,3)22-24(26)27-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1
InChIKeyWJGWAEDUEYZUCZ-UHFFFAOYSA-N
MW376.61 g/mol
LogP6.37
Rot. Bonds16

About dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium

dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium (PubChem CID 54433707) has the molecular formula C24H42NO2+ and a molecular weight of 376.61 g/mol. Its IUPAC name is dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium.

Molecular Properties

Compound Namedimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium
PubChem CID54433707
Molecular FormulaC24H42NO2+
Molecular Weight376.61 g/mol
Exact Mass376.32
IUPAC Namedimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC(=O)Oc1ccccc1
InChIInChI=1S/C24H42NO2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25(2,3)22-24(26)27-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1
InChIKeyWJGWAEDUEYZUCZ-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium 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

Domiphen Bromide
CID 10866
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
1-Piperidineacetic acid, 2,6-diethylphenyl ester, hydrochloride
CID 120600
[2,6-Di(propan-2-yl)phenyl] 2-(dipropylamino)acetate
CID 10519691
benzene, [N,N-bis(carboxy)methyl]aminoethoxy-
CID 23422759
N-methyl-N-(2-phenoxyethyl)dodecan-1-amine
CID 22949982
2-[4-[2-[Dimethyl(octyl)azaniumyl]ethoxy]phenoxy]ethyl-dimethyl-octylazanium dibromide
CID 172452446
Dodecyl-[2-[4-[2-[dodecyl(dimethyl)azaniumyl]ethoxy]phenoxy]ethyl]-dimethylazanium dibromide
CID 172465076
Decyl-[2-[4-[2-[decyl(dimethyl)azaniumyl]ethoxy]phenoxy]ethyl]-dimethylazanium dibromide
CID 172470230
[4-[2-(Dimethylamino)ethyl]phenyl] acetate
CID 13539073
(12-Phenoxydodecyl)triethylammonium bromide
CID 42631033
Phenyl 2-isocyanoacetate
CID 134966416

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium?
The IUPAC name of dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium (CID 54433707) is dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium.
What is the SMILES notation for dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium?
The canonical SMILES for dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)CC(=O)Oc1ccccc1.
What is the InChIKey of dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium?
The InChIKey is WJGWAEDUEYZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42NO2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25(2,3)22-24(26)27-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1.
What are the key properties of dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium?
dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium has a molecular weight of 376.61 g/mol, XLogP of 6.37, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium is sourced from PubChem (CID 54433707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).