4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide

C16H20N4O4Sn — CID 16688807

IUPAC4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide
SMILESC[Sn](C)(ONC(=O)c1ccc(N)cc1)ONC(=O)c1ccc(N)cc1
InChIInChI=1S/2C7H7N2O2.2CH3.Sn/c2*8-6-3-1-5(2-4-6)7(10)9-11;;;/h2*1-4H,(H3-,8,9,10,11);2*1H3;/q2*-1;;;+2
InChIKeyXWIMDXWHTSHIMO-UHFFFAOYSA-N
MW451.07 g/mol
LogP1.58
Rot. Bonds6

About 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide

4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide (PubChem CID 16688807) has the molecular formula C16H20N4O4Sn and a molecular weight of 451.07 g/mol. Its IUPAC name is 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide.

Molecular Properties

Compound Name4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide
PubChem CID16688807
Molecular FormulaC16H20N4O4Sn
Molecular Weight451.07 g/mol
Exact Mass452.05
IUPAC Name4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide
SMILESC[Sn](C)(ONC(=O)c1ccc(N)cc1)ONC(=O)c1ccc(N)cc1
InChIInChI=1S/2C7H7N2O2.2CH3.Sn/c2*8-6-3-1-5(2-4-6)7(10)9-11;;;/h2*1-4H,(H3-,8,9,10,11);2*1H3;/q2*-1;;;+2
InChIKeyXWIMDXWHTSHIMO-UHFFFAOYSA-N
XLogP1.58
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.07
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide
CID 16689083
4-amino-N-ethoxybenzamide
CID 62058413
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
CID 149308165
CID 149308165
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
[(4-aminobenzoyl)amino]carbamic acid
CID 175797538
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide?
The IUPAC name of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide (CID 16688807) is 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide.
What is the SMILES notation for 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide?
The canonical SMILES for 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide is C[Sn](C)(ONC(=O)c1ccc(N)cc1)ONC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide?
The InChIKey is XWIMDXWHTSHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7N2O2.2CH3.Sn/c2*8-6-3-1-5(2-4-6)7(10)9-11;;;/h2*1-4H,(H3-,8,9,10,11);2*1H3;/q2*-1;;;+2.
What are the key properties of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide?
4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide has a molecular weight of 451.07 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide is sourced from PubChem (CID 16688807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).