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

C13H15N3O3 — CID 24672619

IUPACN'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O3/c1-9(2)13(18)16-15-12(17)8-19-11-5-3-10(7-14)4-6-11/h3-6,9H,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLLCITHSUGAVGIS-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.74
Rot. Bonds4

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

N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide (PubChem CID 24672619) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
PubChem CID24672619
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O3/c1-9(2)13(18)16-15-12(17)8-19-11-5-3-10(7-14)4-6-11/h3-6,9H,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLLCITHSUGAVGIS-UHFFFAOYSA-N
XLogP0.74
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
N-[(2S)-1-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 9323187
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829
2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115662181

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide (CID 24672619) is N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide is CC(C)C(=O)NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide?
The InChIKey is LLCITHSUGAVGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(2)13(18)16-15-12(17)8-19-11-5-3-10(7-14)4-6-11/h3-6,9H,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide has a molecular weight of 261.28 g/mol, XLogP of 0.74, 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]-2-methylpropanehydrazide is sourced from PubChem (CID 24672619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).