N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide

C16H18N4O — CID 5122748

IUPACN'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
SMILESCC(CC(=O)NNc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C16H18N4O/c1-13(17-18-14-8-4-2-5-9-14)12-16(21)20-19-15-10-6-3-7-11-15/h2-11,18-19H,12H2,1H3,(H,20,21)
InChIKeyQTLGWFRBRJWQGK-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.01
Rot. Bonds6

About N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide

N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide (PubChem CID 5122748) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide.

Molecular Properties

Compound NameN'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
PubChem CID5122748
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
SMILESCC(CC(=O)NNc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C16H18N4O/c1-13(17-18-14-8-4-2-5-9-14)12-16(21)20-19-15-10-6-3-7-11-15/h2-11,18-19H,12H2,1H3,(H,20,21)
InChIKeyQTLGWFRBRJWQGK-UHFFFAOYSA-N
XLogP3.01
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
CID 143175976
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide;hydroxylamine
CID 143175975
2-fluoro-N'-phenylacetohydrazide
CID 16862
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
CID 14914436
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide?
The IUPAC name of N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide (CID 5122748) is N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide.
What is the SMILES notation for N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide?
The canonical SMILES for N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide is CC(CC(=O)NNc1ccccc1)=NNc1ccccc1.
What is the InChIKey of N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide?
The InChIKey is QTLGWFRBRJWQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-13(17-18-14-8-4-2-5-9-14)12-16(21)20-19-15-10-6-3-7-11-15/h2-11,18-19H,12H2,1H3,(H,20,21).
What are the key properties of N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide?
N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide has a molecular weight of 282.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide is sourced from PubChem (CID 5122748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).