2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide

C11H15N5O4 — CID 20843556

IUPAC2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
SMILESC/C(CC(=O)Nc1ccccc1[NH+]([O-])O)=N/NC(N)=O
InChIInChI=1S/C11H15N5O4/c1-7(14-15-11(12)18)6-10(17)13-8-4-2-3-5-9(8)16(19)20/h2-5,16,19H,6H2,1H3,(H,13,17)(H3,12,15,18)/b14-7-
InChIKeyQPPDBAQKFADPAS-AUWJEWJLSA-N
MW281.27 g/mol
LogP-0.54
Rot. Bonds5

About 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide

2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide (PubChem CID 20843556) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
PubChem CID20843556
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
SMILESC/C(CC(=O)Nc1ccccc1[NH+]([O-])O)=N/NC(N)=O
InChIInChI=1S/C11H15N5O4/c1-7(14-15-11(12)18)6-10(17)13-8-4-2-3-5-9(8)16(19)20/h2-5,16,19H,6H2,1H3,(H,13,17)(H3,12,15,18)/b14-7-
InChIKeyQPPDBAQKFADPAS-AUWJEWJLSA-N
XLogP-0.54
TPSA144.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide 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

4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
CID 20835263
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528
3-(carbamothioylhydrazinylidene)-N-(2,3-dimethylphenyl)butanamide
CID 3004277
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048
N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 171979194
(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 6142780
N-[(Z)-[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 5369499

Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
The IUPAC name of 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide (CID 20843556) is 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide is C/C(CC(=O)Nc1ccccc1[NH+]([O-])O)=N/NC(N)=O.
What is the InChIKey of 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
The InChIKey is QPPDBAQKFADPAS-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-7(14-15-11(12)18)6-10(17)13-8-4-2-3-5-9(8)16(19)20/h2-5,16,19H,6H2,1H3,(H,13,17)(H3,12,15,18)/b14-7-.
What are the key properties of 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide has a molecular weight of 281.27 g/mol, XLogP of -0.54, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 20843556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).