2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide

C22H19N3O2 — CID 46597620

IUPAC2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
SMILESCC(Oc1ccccc1C#N)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-17(27-21-15-9-8-10-18(21)16-23)22(26)24-25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17H,1H3,(H,24,26)
InChIKeyAYOCVOWLEJSOTG-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide

2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide (PubChem CID 46597620) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
PubChem CID46597620
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
SMILESCC(Oc1ccccc1C#N)C(=O)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-17(27-21-15-9-8-10-18(21)16-23)22(26)24-25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17H,1H3,(H,24,26)
InChIKeyAYOCVOWLEJSOTG-UHFFFAOYSA-N
XLogP4.20
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
4-[2-(2-cyanophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230368

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide?
The IUPAC name of 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide (CID 46597620) is 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide?
The canonical SMILES for 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide is CC(Oc1ccccc1C#N)C(=O)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide?
The InChIKey is AYOCVOWLEJSOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-17(27-21-15-9-8-10-18(21)16-23)22(26)24-25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17H,1H3,(H,24,26).
What are the key properties of 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide?
2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide has a molecular weight of 357.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide is sourced from PubChem (CID 46597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).