4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide

C11H15N5O4 — CID 20835263

IUPAC4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
SMILESC/C(CC(=O)Nc1ccc([NH+]([O-])O)cc1)=N/NC(N)=O
InChIInChI=1S/C11H15N5O4/c1-7(14-15-11(12)18)6-10(17)13-8-2-4-9(5-3-8)16(19)20/h2-5,16,19H,6H2,1H3,(H,13,17)(H3,12,15,18)/b14-7-
InChIKeyZCTJZNGYDBFVFS-AUWJEWJLSA-N
MW281.27 g/mol
LogP-0.54
Rot. Bonds5

About 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide

4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide (PubChem CID 20835263) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
PubChem CID20835263
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
SMILESC/C(CC(=O)Nc1ccc([NH+]([O-])O)cc1)=N/NC(N)=O
InChIInChI=1S/C11H15N5O4/c1-7(14-15-11(12)18)6-10(17)13-8-2-4-9(5-3-8)16(19)20/h2-5,16,19H,6H2,1H3,(H,13,17)(H3,12,15,18)/b14-7-
InChIKeyZCTJZNGYDBFVFS-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'}

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Related Compounds

(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
2-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
CID 20843556
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-(3,4-dichlorophenyl)-3-(propanoylhydrazinylidene)butanamide
CID 546204
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272

Frequently Asked Questions

What is the IUPAC name of 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide (CID 20835263) is 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide is C/C(CC(=O)Nc1ccc([NH+]([O-])O)cc1)=N/NC(N)=O.
What is the InChIKey of 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
The InChIKey is ZCTJZNGYDBFVFS-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-7(14-15-11(12)18)6-10(17)13-8-2-4-9(5-3-8)16(19)20/h2-5,16,19H,6H2,1H3,(H,13,17)(H3,12,15,18)/b14-7-.
What are the key properties of 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide?
4-[[(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 4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 20835263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).