diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium

C22H31N2O2+ — CID 10520

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IUPACdiethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium
SMILESCC[N+](C)(CC)CCN(C)C(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N2O2/c1-5-24(4,6-2)18-17-23(3)21(25)22(26,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,26H,5-6,17-18H2,1-4H3/q+1
InChIKeyXCEPXSCPQIRLCL-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.87
Rot. Bonds8

About diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium

diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium (PubChem CID 10520) has the molecular formula C22H31N2O2+ and a molecular weight of 355.50 g/mol. Its IUPAC name is diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium.

Molecular Properties

Compound Namediethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium
PubChem CID10520
Molecular FormulaC22H31N2O2+
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC Namediethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium
SMILESCC[N+](C)(CC)CCN(C)C(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N2O2/c1-5-24(4,6-2)18-17-23(3)21(25)22(26,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,26H,5-6,17-18H2,1-4H3/q+1
InChIKeyXCEPXSCPQIRLCL-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium?
The IUPAC name of diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium (CID 10520) is diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium.
What is the SMILES notation for diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium?
The canonical SMILES for diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium is CC[N+](C)(CC)CCN(C)C(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium?
The InChIKey is XCEPXSCPQIRLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N2O2/c1-5-24(4,6-2)18-17-23(3)21(25)22(26,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,26H,5-6,17-18H2,1-4H3/q+1.
What are the key properties of diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium?
diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium has a molecular weight of 355.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium is sourced from PubChem (CID 10520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).