N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide

C20H21N3O3 — CID 78610851

IUPACN'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide
SMILESCCCC(C(=O)NNC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-8-17(15-9-4-3-5-10-15)20(25)23-22-19(24)14-26-18-12-7-6-11-16(18)13-21/h3-7,9-12,17H,2,8,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyRBPZTSKLYDZHRN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.67
Rot. Bonds7

About N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide

N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide (PubChem CID 78610851) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide
PubChem CID78610851
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide
SMILESCCCC(C(=O)NNC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-8-17(15-9-4-3-5-10-15)20(25)23-22-19(24)14-26-18-12-7-6-11-16(18)13-21/h3-7,9-12,17H,2,8,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyRBPZTSKLYDZHRN-UHFFFAOYSA-N
XLogP2.67
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.67
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

(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide
CID 9470073
(2S)-2-phenyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 7978392
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9375775
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
4-ethoxy-N'-[(2R)-2-phenylpentanoyl]benzohydrazide
CID 9492761
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate
CID 166197032
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292956

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide (CID 78610851) is N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide is CCCC(C(=O)NNC(=O)COc1ccccc1C#N)c1ccccc1.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide?
The InChIKey is RBPZTSKLYDZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-8-17(15-9-4-3-5-10-15)20(25)23-22-19(24)14-26-18-12-7-6-11-16(18)13-21/h3-7,9-12,17H,2,8,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide has a molecular weight of 351.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide is sourced from PubChem (CID 78610851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).