2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide

C20H25NO3 — CID 134828224

IUPAC2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
SMILESCC[N+]([O-])(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-21(23,4-2)15-16-24-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyNGELGXXFBUQOGD-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.72
Rot. Bonds8

About 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide

2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide (PubChem CID 134828224) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide.

Molecular Properties

Compound Name2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
PubChem CID134828224
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
SMILESCC[N+]([O-])(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-21(23,4-2)15-16-24-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyNGELGXXFBUQOGD-UHFFFAOYSA-N
XLogP3.72
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-diphenylacetyl)oxyethyl-triethylazanium bromide
CID 3028235
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium
CID 38989053
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide
CID 21149401
2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl 2,2-diphenylacetate
CID 3753833
propyl (2R)-2-phenylpropanoate
CID 14926551
phenacyl 2,2-diphenylacetate
CID 597416
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide?
The IUPAC name of 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide (CID 134828224) is 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide.
What is the SMILES notation for 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide?
The canonical SMILES for 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide is CC[N+]([O-])(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide?
The InChIKey is NGELGXXFBUQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-21(23,4-2)15-16-24-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide?
2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide has a molecular weight of 327.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide is sourced from PubChem (CID 134828224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).