2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)

C20H20N6NiO6 — CID 170850552

IUPAC2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)
SMILESCC(=NO)C(=NO)C(=O)Nc1ccccc1.CC(=N[O-])C(=N[O-])C(=O)Nc1ccccc1.[Ni+2]
InChIInChI=1S/2C10H11N3O3.Ni/c2*1-7(12-15)9(13-16)10(14)11-8-5-3-2-4-6-8;/h2*2-6,15-16H,1H3,(H,11,14);/q;;+2/p-2
InChIKeyOLXUNAUDZFVIET-UHFFFAOYSA-L
MW499.11 g/mol
LogP2.83
Rot. Bonds6

About 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)

2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+) (PubChem CID 170850552) has the molecular formula C20H20N6NiO6 and a molecular weight of 499.11 g/mol. Its IUPAC name is 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+).

Molecular Properties

Compound Name2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)
PubChem CID170850552
Molecular FormulaC20H20N6NiO6
Molecular Weight499.11 g/mol
Exact Mass498.08
IUPAC Name2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)
SMILESCC(=NO)C(=NO)C(=O)Nc1ccccc1.CC(=N[O-])C(=N[O-])C(=O)Nc1ccccc1.[Ni+2]
InChIInChI=1S/2C10H11N3O3.Ni/c2*1-7(12-15)9(13-16)10(14)11-8-5-3-2-4-6-8;/h2*2-6,15-16H,1H3,(H,11,14);/q;;+2/p-2
InChIKeyOLXUNAUDZFVIET-UHFFFAOYSA-L
XLogP2.83
TPSA194.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.11
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
(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
N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide
CID 135505884
(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide
CID 59883438
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)?
The IUPAC name of 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+) (CID 170850552) is 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+).
What is the SMILES notation for 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)?
The canonical SMILES for 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+) is CC(=NO)C(=NO)C(=O)Nc1ccccc1.CC(=N[O-])C(=N[O-])C(=O)Nc1ccccc1.[Ni+2].
What is the InChIKey of 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)?
The InChIKey is OLXUNAUDZFVIET-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H11N3O3.Ni/c2*1-7(12-15)9(13-16)10(14)11-8-5-3-2-4-6-8;/h2*2-6,15-16H,1H3,(H,11,14);/q;;+2/p-2.
What are the key properties of 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+)?
2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+) has a molecular weight of 499.11 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hydroxyimino)-N-phenylbutanamide;2,3-bis(oxidoimino)-N-phenylbutanamide;nickel(2+) is sourced from PubChem (CID 170850552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).