(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium

C19H24NO2+ — CID 24833212

IUPAC(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CC(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO2/c1-4-20(2,3)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3/q+1
InChIKeyPCLVOMGHFUYXGY-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.68
Rot. Bonds6

About (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium

(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium (PubChem CID 24833212) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium.

Molecular Properties

Compound Name(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium
PubChem CID24833212
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CC(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO2/c1-4-20(2,3)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3/q+1
InChIKeyPCLVOMGHFUYXGY-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylhexyl benzoate
CID 57263824
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
[2-(4-chlorobenzoyl)oxy-2-phenylethyl]-dimethyl-propan-2-ylazanium
CID 24833241
diethyl-methyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium iodide
CID 24833138
[(Z)-1-phenylpent-3-enyl] benzoate
CID 15142799
(2-diethoxyphosphoryl-1-phenylethyl) benzoate
CID 56963886
diethyl-[2-(2-methoxybenzoyl)oxy-2-phenylethyl]-methylazanium
CID 24833135
[2-(4-ethylbenzoyl)oxy-2-phenylethyl] 4-ethylbenzoate
CID 19742385
1-phenylethyl benzoate
CID 174857426
[2-(diethylamino)-1-phenylethyl] 4-tert-butylbenzoate;hydrochloride
CID 24835628
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
1-ethylsulfanylethyl benzoate
CID 132576408

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium?
The IUPAC name of (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium (CID 24833212) is (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium.
What is the SMILES notation for (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium?
The canonical SMILES for (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium is CC[N+](C)(C)CC(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium?
The InChIKey is PCLVOMGHFUYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO2/c1-4-20(2,3)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,4,15H2,1-3H3/q+1.
What are the key properties of (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium?
(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium has a molecular weight of 298.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium is sourced from PubChem (CID 24833212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).