diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride

C21H28ClNO3 — CID 16130

IUPACdiethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H27NO3.ClH/c1-4-22(5-2)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15H,4-5,16-17H2,1-3H3;1H
InChIKeyOQLOLWPAQSHWCM-UHFFFAOYSA-N
MW377.91 g/mol
LogP-0.95
Rot. Bonds9

About diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride

diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride (PubChem CID 16130) has the molecular formula C21H28ClNO3 and a molecular weight of 377.91 g/mol. Its IUPAC name is diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride
PubChem CID16130
Molecular FormulaC21H28ClNO3
Molecular Weight377.91 g/mol
Exact Mass377.18
IUPAC Namediethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H27NO3.ClH/c1-4-22(5-2)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15H,4-5,16-17H2,1-3H3;1H
InChIKeyOQLOLWPAQSHWCM-UHFFFAOYSA-N
XLogP-0.95
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.91
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride?
The IUPAC name of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride (CID 16130) is diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride is CC[NH+](CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride?
The InChIKey is OQLOLWPAQSHWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.ClH/c1-4-22(5-2)16-17-25-20(23)21(24-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15H,4-5,16-17H2,1-3H3;1H.
What are the key properties of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride?
diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride has a molecular weight of 377.91 g/mol, XLogP of -0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]azanium chloride is sourced from PubChem (CID 16130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).