N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide

C20H21N3O4 — CID 24645668

IUPACN'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C20H21N3O4/c1-15-8-10-17(11-9-15)26-12-4-7-19(24)22-23-20(25)14-27-18-6-3-2-5-16(18)13-21/h2-3,5-6,8-11H,4,7,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyLEGANQWORXPEAI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.25
Rot. Bonds8

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

N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide (PubChem CID 24645668) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
PubChem CID24645668
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C20H21N3O4/c1-15-8-10-17(11-9-15)26-12-4-7-19(24)22-23-20(25)14-27-18-6-3-2-5-16(18)13-21/h2-3,5-6,8-11H,4,7,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyLEGANQWORXPEAI-UHFFFAOYSA-N
XLogP2.25
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
N-cyano-4-(4-methylphenoxy)butanamide
CID 79195319
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 25435637
N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
CID 24645648
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 26888241
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide (CID 24645668) is N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide is Cc1ccc(OCCCC(=O)NNC(=O)COc2ccccc2C#N)cc1.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
The InChIKey is LEGANQWORXPEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-15-8-10-17(11-9-15)26-12-4-7-19(24)22-23-20(25)14-27-18-6-3-2-5-16(18)13-21/h2-3,5-6,8-11H,4,7,12,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide has a molecular weight of 367.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide is sourced from PubChem (CID 24645668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).