dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate

C19H31N3O8Zn2 — CID 139184959

IUPACdizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)CCN(C)C.O=C(N[O-])c1ccccc1.[Zn+2].[Zn+2]
InChIInChI=1S/C7H6NO2.C6H16N2.3C2H4O2.2Zn/c9-7(8-10)6-4-2-1-3-5-6;1-7(2)5-6-8(3)4;3*1-2(3)4;;/h1-5H,(H-,8,9,10);5-6H2,1-4H3;3*1H3,(H,3,4);;/q-1;;;;;2*+2/p-3
InChIKeyOZNRBQDGHICVAW-UHFFFAOYSA-K
MW560.25 g/mol
LogP-2.71
Rot. Bonds4

About dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate

dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate (PubChem CID 139184959) has the molecular formula C19H31N3O8Zn2 and a molecular weight of 560.25 g/mol. Its IUPAC name is dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate.

Molecular Properties

Compound Namedizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate
PubChem CID139184959
Molecular FormulaC19H31N3O8Zn2
Molecular Weight560.25 g/mol
Exact Mass557.07
IUPAC Namedizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)CCN(C)C.O=C(N[O-])c1ccccc1.[Zn+2].[Zn+2]
InChIInChI=1S/C7H6NO2.C6H16N2.3C2H4O2.2Zn/c9-7(8-10)6-4-2-1-3-5-6;1-7(2)5-6-8(3)4;3*1-2(3)4;;/h1-5H,(H-,8,9,10);5-6H2,1-4H3;3*1H3,(H,3,4);;/q-1;;;;;2*+2/p-3
InChIKeyOZNRBQDGHICVAW-UHFFFAOYSA-K
XLogP-2.71
TPSA179.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.25
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate 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

lead(2+);bis(N-oxidobenzamide)
CID 174994108
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
zinc;benzoic acid;2-(dimethylamino)ethanol;dimethylaminomethanol
CID 59958821
N',N'-dimethylbenzohydrazide;hydrochloride
CID 131848151
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]benzamide
CID 175915827
N'-oxidobenzohydrazide
CID 174971627
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
copper;2-(dimethylamino)acetic acid;dibenzoate
CID 174914770
1-methyl-N-oxidopyridin-1-ium-3-carboxamide
CID 51373503
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-methylbenzamide
CID 11954

Frequently Asked Questions

What is the IUPAC name of dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate?
The IUPAC name of dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate (CID 139184959) is dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate.
What is the SMILES notation for dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate?
The canonical SMILES for dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN(C)CCN(C)C.O=C(N[O-])c1ccccc1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate?
The InChIKey is OZNRBQDGHICVAW-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H6NO2.C6H16N2.3C2H4O2.2Zn/c9-7(8-10)6-4-2-1-3-5-6;1-7(2)5-6-8(3)4;3*1-2(3)4;;/h1-5H,(H-,8,9,10);5-6H2,1-4H3;3*1H3,(H,3,4);;/q-1;;;;;2*+2/p-3.
What are the key properties of dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate?
dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate has a molecular weight of 560.25 g/mol, XLogP of -2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;N-oxidobenzamide;N,N,N',N'-tetramethylethane-1,2-diamine;triacetate is sourced from PubChem (CID 139184959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).