(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide

C13H16N4O5 — CID 6167457

IUPAC(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide
SMILESCOCC(=O)N/N=C(/C)CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O5/c1-9(15-16-13(19)8-22-2)6-12(18)14-10-4-3-5-11(7-10)17(20)21/h3-5,7H,6,8H2,1-2H3,(H,14,18)(H,16,19)/b15-9-
InChIKeyCWBAJVJHHWGGKB-DHDCSXOGSA-N
MW308.29 g/mol
LogP1.06
Rot. Bonds7

About (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide

(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide (PubChem CID 6167457) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide
PubChem CID6167457
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide
SMILESCOCC(=O)N/N=C(/C)CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O5/c1-9(15-16-13(19)8-22-2)6-12(18)14-10-4-3-5-11(7-10)17(20)21/h3-5,7H,6,8H2,1-2H3,(H,14,18)(H,16,19)/b15-9-
InChIKeyCWBAJVJHHWGGKB-DHDCSXOGSA-N
XLogP1.06
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-N-[[4-(3-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4692567
3-chloro-4-nitro-N-[(E)-[4-(3-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 46501899
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7308891
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide?
The IUPAC name of (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide (CID 6167457) is (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide?
The canonical SMILES for (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide is COCC(=O)N/N=C(/C)CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide?
The InChIKey is CWBAJVJHHWGGKB-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H16N4O5/c1-9(15-16-13(19)8-22-2)6-12(18)14-10-4-3-5-11(7-10)17(20)21/h3-5,7H,6,8H2,1-2H3,(H,14,18)(H,16,19)/b15-9-.
What are the key properties of (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide?
(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide has a molecular weight of 308.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 6167457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).