(3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide

C16H20N4O2 — CID 171982393

IUPAC(3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(C(C)C)cc1)=N/NC(=O)CC#N
InChIInChI=1S/C16H20N4O2/c1-11(2)13-4-6-14(7-5-13)18-16(22)10-12(3)19-20-15(21)8-9-17/h4-7,11H,8,10H2,1-3H3,(H,18,22)(H,20,21)/b19-12-
InChIKeyZQQOJNQLJXHECM-UNOMPAQXSA-N
MW300.36 g/mol
LogP2.54
Rot. Bonds6

About (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide

(3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 171982393) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide
PubChem CID171982393
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(C(C)C)cc1)=N/NC(=O)CC#N
InChIInChI=1S/C16H20N4O2/c1-11(2)13-4-6-14(7-5-13)18-16(22)10-12(3)19-20-15(21)8-9-17/h4-7,11H,8,10H2,1-3H3,(H,18,22)(H,20,21)/b19-12-
InChIKeyZQQOJNQLJXHECM-UNOMPAQXSA-N
XLogP2.54
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
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

tert-butyl N-[[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]carbamate
CID 4566860
N-(4-chloro-3-nitrophenyl)-3-[(2-cyanoacetyl)hydrazinylidene]butanamide
CID 4000024
2-bromo-N-[(E)-[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]benzamide
CID 171980942
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6250271
2,4-dimethoxy-N-[(Z)-[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]benzamide
CID 6109714
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
3-cyano-N-(4-propan-2-ylphenyl)butanamide
CID 82115706
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
N-(3,4-dichlorophenyl)-3-(propanoylhydrazinylidene)butanamide
CID 546204

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide (CID 171982393) is (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide is C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N/NC(=O)CC#N.
What is the InChIKey of (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is ZQQOJNQLJXHECM-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)13-4-6-14(7-5-13)18-16(22)10-12(3)19-20-15(21)8-9-17/h4-7,11H,8,10H2,1-3H3,(H,18,22)(H,20,21)/b19-12-.
What are the key properties of (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide?
(3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 300.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-cyanoacetyl)hydrazinylidene]-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 171982393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).