3-hexoxybenzohydrazide

C13H20N2O2 — CID 54793158

IUPAC3-hexoxybenzohydrazide
SMILESCCCCCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-9-17-12-8-6-7-11(10-12)13(16)15-14/h6-8,10H,2-5,9,14H2,1H3,(H,15,16)
InChIKeyCIFXRGHOUIKPHC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.25
Rot. Bonds7

About 3-hexoxybenzohydrazide

3-hexoxybenzohydrazide (PubChem CID 54793158) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-hexoxybenzohydrazide.

Molecular Properties

Compound Name3-hexoxybenzohydrazide
PubChem CID54793158
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-hexoxybenzohydrazide
SMILESCCCCCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-9-17-12-8-6-7-11(10-12)13(16)15-14/h6-8,10H,2-5,9,14H2,1H3,(H,15,16)
InChIKeyCIFXRGHOUIKPHC-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-heptoxybenzohydrazide
CID 54793165
3-pentoxybenzohydrazide
CID 54793157
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
methyl 3-octoxybenzoate
CID 72706029
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
1-(3-henicosoxyphenyl)ethanone
CID 23127401
3-tetradecoxybenzoate
CID 168826216
methyl 3-(3-octadecoxyphenyl)-3-oxopropanoate
CID 23036064
4-pentoxybenzohydrazide
CID 2727702
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386

Frequently Asked Questions

What is the IUPAC name of 3-hexoxybenzohydrazide?
The IUPAC name of 3-hexoxybenzohydrazide (CID 54793158) is 3-hexoxybenzohydrazide.
What is the SMILES notation for 3-hexoxybenzohydrazide?
The canonical SMILES for 3-hexoxybenzohydrazide is CCCCCCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-hexoxybenzohydrazide?
The InChIKey is CIFXRGHOUIKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-5-9-17-12-8-6-7-11(10-12)13(16)15-14/h6-8,10H,2-5,9,14H2,1H3,(H,15,16).
What are the key properties of 3-hexoxybenzohydrazide?
3-hexoxybenzohydrazide has a molecular weight of 236.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxybenzohydrazide is sourced from PubChem (CID 54793158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).