N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide

C16H19N3O3 — CID 2407482

IUPACN'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H19N3O3/c17-10-12-6-8-14(9-7-12)22-11-15(20)18-19-16(21)13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,18,20)(H,19,21)
InChIKeyWIQPWMSXGODYJV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.66
Rot. Bonds4

About N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide (PubChem CID 2407482) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide
PubChem CID2407482
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H19N3O3/c17-10-12-6-8-14(9-7-12)22-11-15(20)18-19-16(21)13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,18,20)(H,19,21)
InChIKeyWIQPWMSXGODYJV-UHFFFAOYSA-N
XLogP1.66
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methylphenoxy)acetohydrazide
CID 692242
2-(4-cyanophenoxy)-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]acetamide
CID 9679910
2-[4-(2-Cyano-2-phenylvinyl)phenoxy]acetamide
CID 799942
N'-[(4-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 1717957
N'-[2-(4-methoxyphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3127332
3-Phenyl-propionic acid N'-[2-(4-tert-butyl-phenoxy)-acetyl]-hydrazide
CID 3127650
N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
N'-[(2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139322
2-(3-methylphenoxy)-N'-(6-{2-[(3-methylphenoxy)acetyl]hydrazino}-6-oxohexanoyl)acetohydrazide
CID 4367965
N'-[2-(2-fluorophenoxy)propanoyl]-3-phenylbutanehydrazide
CID 24979804
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
N'-[2-(2-cyanophenoxy)acetyl]-3-cyclopentylpropanehydrazide
CID 2640774

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide (CID 2407482) is N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide?
The InChIKey is WIQPWMSXGODYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-10-12-6-8-14(9-7-12)22-11-15(20)18-19-16(21)13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 2407482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).