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

C22H28N2O4 — CID 4942278

IUPAC2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C22H28N2O4/c1-3-4-5-8-15-27-20-10-7-6-9-19(20)22(26)24-23-21(25)16-28-18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMJPLKAKRQZSXIB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.79
Rot. Bonds10

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

2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (PubChem CID 4942278) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
PubChem CID4942278
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C22H28N2O4/c1-3-4-5-8-15-27-20-10-7-6-9-19(20)22(26)24-23-21(25)16-28-18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMJPLKAKRQZSXIB-UHFFFAOYSA-N
XLogP3.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4942269
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (CID 4942278) is 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is MJPLKAKRQZSXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-4-5-8-15-27-20-10-7-6-9-19(20)22(26)24-23-21(25)16-28-18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4942278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).