2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride

C22H30ClNO3 — CID 16373

IUPAC2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride
SMILESCCOC(C(=O)OCC[NH+](CC)CC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-4-23(5-2)17-18-25-21(24)22(26-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H
InChIKeyGUXZXAZOIFWRFN-UHFFFAOYSA-N
MW391.94 g/mol
LogP-0.56
Rot. Bonds10

About 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride

2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride (PubChem CID 16373) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride
PubChem CID16373
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Name2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride
SMILESCCOC(C(=O)OCC[NH+](CC)CC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-4-23(5-2)17-18-25-21(24)22(26-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H
InChIKeyGUXZXAZOIFWRFN-UHFFFAOYSA-N
XLogP-0.56
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride?
The IUPAC name of 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride (CID 16373) is 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride.
What is the SMILES notation for 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride?
The canonical SMILES for 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride is CCOC(C(=O)OCC[NH+](CC)CC)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride?
The InChIKey is GUXZXAZOIFWRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-4-23(5-2)17-18-25-21(24)22(26-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H.
What are the key properties of 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride?
2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride has a molecular weight of 391.94 g/mol, XLogP of -0.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-diethylazanium chloride is sourced from PubChem (CID 16373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).