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

C18H24N4O4Sn — CID 16689083

IUPAC4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide
SMILESCC[Sn](CC)(ONC(=O)c1ccc(N)cc1)ONC(=O)c1ccc(N)cc1
InChIInChI=1S/2C7H7N2O2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(10)9-11;2*1-2;/h2*1-4H,(H3-,8,9,10,11);2*1H2,2H3;/q2*-1;;;+2
InChIKeyLDDJAOPEUDQPFV-UHFFFAOYSA-N
MW479.13 g/mol
LogP2.36
Rot. Bonds8

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

4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide (PubChem CID 16689083) has the molecular formula C18H24N4O4Sn and a molecular weight of 479.13 g/mol. Its IUPAC name is 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide.

Molecular Properties

Compound Name4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide
PubChem CID16689083
Molecular FormulaC18H24N4O4Sn
Molecular Weight479.13 g/mol
Exact Mass480.08
IUPAC Name4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide
SMILESCC[Sn](CC)(ONC(=O)c1ccc(N)cc1)ONC(=O)c1ccc(N)cc1
InChIInChI=1S/2C7H7N2O2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(10)9-11;2*1-2;/h2*1-4H,(H3-,8,9,10,11);2*1H2,2H3;/q2*-1;;;+2
InChIKeyLDDJAOPEUDQPFV-UHFFFAOYSA-N
XLogP2.36
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.13
LogP ≤ 52.36
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-dimethylstannyl]oxybenzamide
CID 16688807
4-amino-N-ethoxybenzamide
CID 62058413
N-[dibutyl-[(4-methoxybenzoyl)amino]oxystannyl]oxy-4-methoxybenzamide
CID 16688892
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide
CID 16688159
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-amino-N-butan-2-ylbenzamide
CID 3503917
ethyl 4-aminobenzoate
CID 2337
1-(4-aminophenyl)propan-1-one
CID 6270
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide?
The IUPAC name of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide (CID 16689083) is 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide.
What is the SMILES notation for 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide?
The canonical SMILES for 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide is CC[Sn](CC)(ONC(=O)c1ccc(N)cc1)ONC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide?
The InChIKey is LDDJAOPEUDQPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7N2O2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(10)9-11;2*1-2;/h2*1-4H,(H3-,8,9,10,11);2*1H2,2H3;/q2*-1;;;+2.
What are the key properties of 4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide?
4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide has a molecular weight of 479.13 g/mol, XLogP of 2.36, 8 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-diethylstannyl]oxybenzamide is sourced from PubChem (CID 16689083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).