(2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide

C16H16N4O2 — CID 135501740

IUPAC(2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide
SMILESCC(=N\Nc1ccccc1)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N4O2/c1-12(18-19-14-10-6-3-7-11-14)15(20-22)16(21)17-13-8-4-2-5-9-13/h2-11,19,22H,1H3,(H,17,21)/b18-12+,20-15-
InChIKeyIQRAHLCXWWBGLE-ULERMCTBSA-N
MW296.33 g/mol
LogP2.94
Rot. Bonds5

About (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide

(2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide (PubChem CID 135501740) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide.

Molecular Properties

Compound Name(2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide
PubChem CID135501740
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide
SMILESCC(=N\Nc1ccccc1)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N4O2/c1-12(18-19-14-10-6-3-7-11-14)15(20-22)16(21)17-13-8-4-2-5-9-13/h2-11,19,22H,1H3,(H,17,21)/b18-12+,20-15-
InChIKeyIQRAHLCXWWBGLE-ULERMCTBSA-N
XLogP2.94
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.94
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-YL)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 1070531
(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 1130374
4-[(1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 85930
3-(Benzoyl-hydrazono)-2-hydroxyimino-N-phenyl-butyramide
CID 135616984
5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide
CID 24965129
6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide
CID 939759
N1-phenyl-2-hydroxyiminopropanamide
CID 9583273
N-{4-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
CID 3836550
3-[2-(4-chlorophenyl)hydrazono]-2-(hydroxyimino)-N-phenylbutanamide
CID 135501739
Nickel, bis(2,3-bis(hydroxyimino-kappaN)-N-phenylbutanamidato)-
CID 136064478
Nickel, bis[2,3-bis(hydroxyimino-kappaN)-N-phenylbutanamidato]-
CID 136257965

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide?
The IUPAC name of (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide (CID 135501740) is (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide.
What is the SMILES notation for (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide?
The canonical SMILES for (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide is CC(=N\Nc1ccccc1)/C(=N/O)C(=O)Nc1ccccc1.
What is the InChIKey of (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide?
The InChIKey is IQRAHLCXWWBGLE-ULERMCTBSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12(18-19-14-10-6-3-7-11-14)15(20-22)16(21)17-13-8-4-2-5-9-13/h2-11,19,22H,1H3,(H,17,21)/b18-12+,20-15-.
What are the key properties of (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide?
(2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide has a molecular weight of 296.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-hydroxyimino-N-phenyl-3-(phenylhydrazinylidene)butanamide is sourced from PubChem (CID 135501740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).