2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide

C22H32N4O4Sn — CID 16687745

IUPAC2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide
SMILESCCCC[Sn](CCCC)(ONC(=O)c1ccccc1N)ONC(=O)c1ccccc1N
InChIInChI=1S/2C7H7N2O2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(10)9-11;2*1-3-4-2;/h2*1-4H,(H3-,8,9,10,11);2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyWLLJBPHEVPQSHW-UHFFFAOYSA-N
MW535.23 g/mol
LogP3.92
Rot. Bonds12

About 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide

2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide (PubChem CID 16687745) has the molecular formula C22H32N4O4Sn and a molecular weight of 535.23 g/mol. Its IUPAC name is 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide.

Molecular Properties

Compound Name2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide
PubChem CID16687745
Molecular FormulaC22H32N4O4Sn
Molecular Weight535.23 g/mol
Exact Mass536.14
IUPAC Name2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide
SMILESCCCC[Sn](CCCC)(ONC(=O)c1ccccc1N)ONC(=O)c1ccccc1N
InChIInChI=1S/2C7H7N2O2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(10)9-11;2*1-3-4-2;/h2*1-4H,(H3-,8,9,10,11);2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyWLLJBPHEVPQSHW-UHFFFAOYSA-N
XLogP3.92
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.23
LogP ≤ 53.92
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

2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide
CID 16688159
2-amino-N-dodecylbenzamide
CID 54099396
N-[dibutyl-[(4-methoxybenzoyl)amino]oxystannyl]oxy-4-methoxybenzamide
CID 16688892
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
dodecyl 2-aminobenzoate
CID 5095316
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
2-tributylstannylbenzohydrazide
CID 66859798

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide?
The IUPAC name of 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide (CID 16687745) is 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide.
What is the SMILES notation for 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide?
The canonical SMILES for 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide is CCCC[Sn](CCCC)(ONC(=O)c1ccccc1N)ONC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide?
The InChIKey is WLLJBPHEVPQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7N2O2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(10)9-11;2*1-3-4-2;/h2*1-4H,(H3-,8,9,10,11);2*1,3-4H2,2H3;/q2*-1;;;+2.
What are the key properties of 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide?
2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide has a molecular weight of 535.23 g/mol, XLogP of 3.92, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide is sourced from PubChem (CID 16687745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).