diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride

C16H26ClNO5 — CID 20291

IUPACdiethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1.[Cl-]
InChIInChI=1S/C16H25NO5.ClH/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4;/h10-11H,6-9H2,1-5H3;1H
InChIKeySLNGWZYXXOJBKC-UHFFFAOYSA-N
MW347.84 g/mol
LogP-2.20
Rot. Bonds9

About diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride

diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride (PubChem CID 20291) has the molecular formula C16H26ClNO5 and a molecular weight of 347.84 g/mol. Its IUPAC name is diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
PubChem CID20291
Molecular FormulaC16H26ClNO5
Molecular Weight347.84 g/mol
Exact Mass347.15
IUPAC Namediethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1.[Cl-]
InChIInChI=1S/C16H25NO5.ClH/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4;/h10-11H,6-9H2,1-5H3;1H
InChIKeySLNGWZYXXOJBKC-UHFFFAOYSA-N
XLogP-2.20
TPSA58.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenoxy)ethyl-ethyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
CID 110186006
octyl 3,4,5-trimethoxybenzoate
CID 54343365
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
2-[tert-butyl(methyl)amino]ethyl 3,4,5-trimethoxybenzoate
CID 132794544
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
diethyl-[2-[3-methyl-2,6-dioxo-1-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]purin-7-yl]ethyl]azanium
CID 4557040
cyanomethyl 3,4,5-trimethoxybenzoate
CID 2681800
[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2364022
2-(2-methylphenoxy)ethyl 3,4,5-trimethoxybenzoate
CID 8013093
propyl 3,4-dimethoxy-5-sulfamoylbenzoate
CID 65382015
3-[4-(3-hydroxypropyl)piperazine-1,4-diium-1-yl]propyl 3,4,5-trimethoxybenzoate dichloride
CID 110185724

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride?
The IUPAC name of diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride (CID 20291) is diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride is CC[NH+](CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1.[Cl-].
What is the InChIKey of diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride?
The InChIKey is SLNGWZYXXOJBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5.ClH/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4;/h10-11H,6-9H2,1-5H3;1H.
What are the key properties of diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride?
diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride has a molecular weight of 347.84 g/mol, XLogP of -2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride is sourced from PubChem (CID 20291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).