2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium

C18H22NO2+ — CID 3553500

IUPAC2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
SMILESC[NH+](C)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-19(2)13-14-21-18(20)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1
InChIKeyDUHVHRGNHUTXDR-UHFFFAOYSA-O
MW284.38 g/mol
LogP1.51
Rot. Bonds6

About 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium

2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium (PubChem CID 3553500) has the molecular formula C18H22NO2+ and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium.

Molecular Properties

Compound Name2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
PubChem CID3553500
Molecular FormulaC18H22NO2+
Molecular Weight284.38 g/mol
Exact Mass284.16
IUPAC Name2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
SMILESC[NH+](C)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-19(2)13-14-21-18(20)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1
InChIKeyDUHVHRGNHUTXDR-UHFFFAOYSA-O
XLogP1.51
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium 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

2-(2-bromo-2-phenylacetyl)oxyethyl-dimethylazanium chloride
CID 110193125
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
2-(2,2-diphenylacetyl)oxyethyl-triethylazanium bromide
CID 3028235
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
CID 134828224
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2,2-diphenylacetate
CID 3753833
2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
CID 44658693
phenacyl 2,2-diphenylacetate
CID 597416
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate
CID 71439184
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium?
The IUPAC name of 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium (CID 3553500) is 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium.
What is the SMILES notation for 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium?
The canonical SMILES for 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium is C[NH+](C)CCOC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium?
The InChIKey is DUHVHRGNHUTXDR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21NO2/c1-19(2)13-14-21-18(20)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1.
What are the key properties of 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium?
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium has a molecular weight of 284.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium is sourced from PubChem (CID 3553500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).