2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate

C28H42HgN3O9+ — CID 23182614

IUPAC2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate
SMILESCC[NH+](CC)CCOC(=O)c1ccc(N)cc1.COCCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)[O-].O
InChIInChI=1S/C15H20NO6.C13H20N2O2.Hg.H2O/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);5-8H,3-4,9-10,14H2,1-2H3;;1H2/q;;+1;
InChIKeyXRCLWOYOVQUZLE-UHFFFAOYSA-N
MW765.25 g/mol
LogP-0.93
Rot. Bonds17

About 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate

2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate (PubChem CID 23182614) has the molecular formula C28H42HgN3O9+ and a molecular weight of 765.25 g/mol. Its IUPAC name is 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate.

Molecular Properties

Compound Name2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate
PubChem CID23182614
Molecular FormulaC28H42HgN3O9+
Molecular Weight765.25 g/mol
Exact Mass766.26
IUPAC Name2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate
SMILESCC[NH+](CC)CCOC(=O)c1ccc(N)cc1.COCCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)[O-].O
InChIInChI=1S/C15H20NO6.C13H20N2O2.Hg.H2O/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);5-8H,3-4,9-10,14H2,1-2H3;;1H2/q;;+1;
InChIKeyXRCLWOYOVQUZLE-UHFFFAOYSA-N
XLogP-0.93
TPSA185.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500765.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
CID 23182615
sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
CID 175845123
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
CID 6455484
diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 2542662
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
diethyl-methyl-[2-[4-[(2-pentan-3-yloxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
CID 3039959
sodium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury;1,3-dimethyl-7H-purine-2,6-dione;hydrate
CID 25200259
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
ethyl 4-[2-[2-[2-(2-methoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17355650
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate?
The IUPAC name of 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate (CID 23182614) is 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate.
What is the SMILES notation for 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate?
The canonical SMILES for 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate is CC[NH+](CC)CCOC(=O)c1ccc(N)cc1.COCCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)[O-].O.
What is the InChIKey of 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate?
The InChIKey is XRCLWOYOVQUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO6.C13H20N2O2.Hg.H2O/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);5-8H,3-4,9-10,14H2,1-2H3;;1H2/q;;+1;.
What are the key properties of 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate?
2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate has a molecular weight of 765.25 g/mol, XLogP of -0.93, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate is sourced from PubChem (CID 23182614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).