4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide

C22H26N6O3 — CID 9468307

IUPAC4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H26N6O3/c1-2-3-4-8-15-31-19-13-11-18(12-14-19)22(30)25-23-20(29)16-28-26-21(24-27-28)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,23,29)(H,25,30)
InChIKeyXIMPMBSCPHEXOM-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.76
Rot. Bonds10

About 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide

4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide (PubChem CID 9468307) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
PubChem CID9468307
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H26N6O3/c1-2-3-4-8-15-31-19-13-11-18(12-14-19)22(30)25-23-20(29)16-28-26-21(24-27-28)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,23,29)(H,25,30)
InChIKeyXIMPMBSCPHEXOM-UHFFFAOYSA-N
XLogP2.76
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929860
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
[4-(2-decyltetrazol-5-yl)phenyl] 4-decoxybenzoate
CID 102108808
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide (CID 9468307) is 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
The InChIKey is XIMPMBSCPHEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-2-3-4-8-15-31-19-13-11-18(12-14-19)22(30)25-23-20(29)16-28-26-21(24-27-28)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,23,29)(H,25,30).
What are the key properties of 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide has a molecular weight of 422.49 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 9468307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).