4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide

C22H28N2O3 — CID 26163669

IUPAC4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C22H28N2O3/c1-3-4-5-8-15-27-20-13-11-18(12-14-20)22(26)24-23-21(25)16-19-10-7-6-9-17(19)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZUDOAJGEWWXAAI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.96
Rot. Bonds9

About 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide

4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide (PubChem CID 26163669) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
PubChem CID26163669
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C22H28N2O3/c1-3-4-5-8-15-27-20-13-11-18(12-14-20)22(26)24-23-21(25)16-19-10-7-6-9-17(19)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZUDOAJGEWWXAAI-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 4950737
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide (CID 26163669) is 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)Cc2ccccc2C)cc1.
What is the InChIKey of 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide?
The InChIKey is ZUDOAJGEWWXAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-4-5-8-15-27-20-13-11-18(12-14-20)22(26)24-23-21(25)16-19-10-7-6-9-17(19)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide?
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 26163669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).