2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride

C20H24ClNO3 — CID 110173843

IUPAC2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1ccccc1C(=O)c1ccccc1.[Cl-]
InChIInChI=1S/C20H23NO3.ClH/c1-3-21(4-2)14-15-24-20(23)18-13-9-8-12-17(18)19(22)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H
InChIKeySWIBWGKPBMBWPS-UHFFFAOYSA-N
MW361.87 g/mol
LogP-1.00
Rot. Bonds8

About 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride

2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride (PubChem CID 110173843) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride
PubChem CID110173843
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1ccccc1C(=O)c1ccccc1.[Cl-]
InChIInChI=1S/C20H23NO3.ClH/c1-3-21(4-2)14-15-24-20(23)18-13-9-8-12-17(18)19(22)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H
InChIKeySWIBWGKPBMBWPS-UHFFFAOYSA-N
XLogP-1.00
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 159230948
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-(2-acetyloxybenzoyl)oxyethyl-diethylazanium
CID 140799841
2-methylpropyl 2-benzoylbenzoate
CID 142743650
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
amino 2-benzoylbenzoate
CID 19737509
[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate
CID 71271662
6-(3-methoxypropanoyloxy)hexyl 2-benzoylbenzoate
CID 155076175
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-benzoylbenzoate
CID 158797658
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
(2-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride?
The IUPAC name of 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride (CID 110173843) is 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride.
What is the SMILES notation for 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride?
The canonical SMILES for 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride is CC[NH+](CC)CCOC(=O)c1ccccc1C(=O)c1ccccc1.[Cl-].
What is the InChIKey of 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride?
The InChIKey is SWIBWGKPBMBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.ClH/c1-3-21(4-2)14-15-24-20(23)18-13-9-8-12-17(18)19(22)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H.
What are the key properties of 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride?
2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride has a molecular weight of 361.87 g/mol, XLogP of -1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride is sourced from PubChem (CID 110173843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).