diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium

C20H26NO2+ — CID 2295241

IUPACdiethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium
SMILESCC[NH+](CC)CCC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)16-15-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3/p+1
InChIKeyFCKDCPHGDPVCFH-UHFFFAOYSA-O
MW312.43 g/mol
LogP1.81
Rot. Bonds8

About diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium

diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium (PubChem CID 2295241) has the molecular formula C20H26NO2+ and a molecular weight of 312.43 g/mol. Its IUPAC name is diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium.

Molecular Properties

Compound Namediethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium
PubChem CID2295241
Molecular FormulaC20H26NO2+
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Namediethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium
SMILESCC[NH+](CC)CCC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)16-15-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3/p+1
InChIKeyFCKDCPHGDPVCFH-UHFFFAOYSA-O
XLogP1.81
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium?
The IUPAC name of diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium (CID 2295241) is diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium.
What is the SMILES notation for diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium?
The canonical SMILES for diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium is CC[NH+](CC)CCC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium?
The InChIKey is FCKDCPHGDPVCFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25NO2/c1-3-21(4-2)16-15-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3/p+1.
What are the key properties of diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium?
diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium has a molecular weight of 312.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium is sourced from PubChem (CID 2295241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).