4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide

C25H28N2O4 — CID 4933802

IUPAC4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C25H28N2O4/c1-2-3-4-7-17-30-21-15-13-20(14-16-21)25(29)27-26-24(28)18-31-23-12-8-10-19-9-5-6-11-22(19)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyNLPKNHDQGDTTOZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.64
Rot. Bonds10

About 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide

4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide (PubChem CID 4933802) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
PubChem CID4933802
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C25H28N2O4/c1-2-3-4-7-17-30-21-15-13-20(14-16-21)25(29)27-26-24(28)18-31-23-12-8-10-19-9-5-6-11-22(19)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyNLPKNHDQGDTTOZ-UHFFFAOYSA-N
XLogP4.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.64
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-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
CID 4938673
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide?
The IUPAC name of 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide (CID 4933802) is 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1.
What is the InChIKey of 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide?
The InChIKey is NLPKNHDQGDTTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-3-4-7-17-30-21-15-13-20(14-16-21)25(29)27-26-24(28)18-31-23-12-8-10-19-9-5-6-11-22(19)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide?
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide has a molecular weight of 420.51 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide is sourced from PubChem (CID 4933802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).