diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium

C20H25N2O2+ — CID 18914431

IUPACdiethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium
SMILESCCN(CC)[N+](C)(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N2O2/c1-5-21(6-2)22(3,4)18-14-12-17(13-15-18)20(24)19(23)16-10-8-7-9-11-16/h7-15H,5-6H2,1-4H3/q+1
InChIKeyLWTJOQYRABRIKK-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.58
Rot. Bonds7

About diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium

diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium (PubChem CID 18914431) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium.

Molecular Properties

Compound Namediethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium
PubChem CID18914431
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Namediethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium
SMILESCCN(CC)[N+](C)(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N2O2/c1-5-21(6-2)22(3,4)18-14-12-17(13-15-18)20(24)19(23)16-10-8-7-9-11-16/h7-15H,5-6H2,1-4H3/q+1
InChIKeyLWTJOQYRABRIKK-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;iron
CID 70488368
2-methylidene-1-phenylbutan-1-one
CID 11788458
1,2-diphenylethane-1,2-dione;ethenyl(trimethyl)azanium;bromide
CID 174526746
[4-(diethylcarbamoyl)phenyl]-trimethylazanium
CID 122214787
1,2-diphenylethane-1,2-dione;N-ethyl-N-methylhexan-1-amine
CID 69013221
CID 174412487
CID 174412487

Frequently Asked Questions

What is the IUPAC name of diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium?
The IUPAC name of diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium (CID 18914431) is diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium.
What is the SMILES notation for diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium?
The canonical SMILES for diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium is CCN(CC)[N+](C)(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1.
What is the InChIKey of diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium?
The InChIKey is LWTJOQYRABRIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O2/c1-5-21(6-2)22(3,4)18-14-12-17(13-15-18)20(24)19(23)16-10-8-7-9-11-16/h7-15H,5-6H2,1-4H3/q+1.
What are the key properties of diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium?
diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium has a molecular weight of 325.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-dimethyl-[4-(2-oxo-2-phenylacetyl)phenyl]azanium is sourced from PubChem (CID 18914431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).