(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide

C10H10N3O3- — CID 135764917

IUPAC(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
SMILESCC(=N\[O-])/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C10H11N3O3/c1-7(12-15)9(13-16)10(14)11-8-5-3-2-4-6-8/h2-6,15-16H,1H3,(H,11,14)/p-1/b12-7+,13-9-
InChIKeyLTVZTEPROUYMGF-QOZIKOCUSA-M
MW220.21 g/mol
LogP1.41
Rot. Bonds3

About (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide

(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide (PubChem CID 135764917) has the molecular formula C10H10N3O3- and a molecular weight of 220.21 g/mol. Its IUPAC name is (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide.

Molecular Properties

Compound Name(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
PubChem CID135764917
Molecular FormulaC10H10N3O3-
Molecular Weight220.21 g/mol
Exact Mass220.07
IUPAC Name(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
SMILESCC(=N\[O-])/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C10H11N3O3/c1-7(12-15)9(13-16)10(14)11-8-5-3-2-4-6-8/h2-6,15-16H,1H3,(H,11,14)/p-1/b12-7+,13-9-
InChIKeyLTVZTEPROUYMGF-QOZIKOCUSA-M
XLogP1.41
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)
CID 170850552
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
N-[(Z)-[(3Z)-4-anilino-3-hydroxyimino-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 136861513
nitrous acid;N-phenylacetamide
CID 174797407
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
potassium 2-anilino-2-oxoacetate
CID 23690423
(2E,3Z)-2-hydroxyimino-3-[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]-N-phenylbutanamide
CID 136882590
cobalt;N-phenylacetamide
CID 158689050
(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide
CID 59883438
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide?
The IUPAC name of (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide (CID 135764917) is (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide.
What is the SMILES notation for (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide?
The canonical SMILES for (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide is CC(=N\[O-])/C(=N/O)C(=O)Nc1ccccc1.
What is the InChIKey of (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide?
The InChIKey is LTVZTEPROUYMGF-QOZIKOCUSA-M. The full InChI is InChI=1S/C10H11N3O3/c1-7(12-15)9(13-16)10(14)11-8-5-3-2-4-6-8/h2-6,15-16H,1H3,(H,11,14)/p-1/b12-7+,13-9-.
What are the key properties of (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide?
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide has a molecular weight of 220.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide is sourced from PubChem (CID 135764917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).