3-heptoxybenzohydrazide

C14H22N2O2 — CID 54793165

IUPAC3-heptoxybenzohydrazide
SMILESCCCCCCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H22N2O2/c1-2-3-4-5-6-10-18-13-9-7-8-12(11-13)14(17)16-15/h7-9,11H,2-6,10,15H2,1H3,(H,16,17)
InChIKeyLFKDIWSLHUGOMC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.64
Rot. Bonds8

About 3-heptoxybenzohydrazide

3-heptoxybenzohydrazide (PubChem CID 54793165) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-heptoxybenzohydrazide.

Molecular Properties

Compound Name3-heptoxybenzohydrazide
PubChem CID54793165
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-heptoxybenzohydrazide
SMILESCCCCCCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H22N2O2/c1-2-3-4-5-6-10-18-13-9-7-8-12(11-13)14(17)16-15/h7-9,11H,2-6,10,15H2,1H3,(H,16,17)
InChIKeyLFKDIWSLHUGOMC-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.64
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-hexoxybenzohydrazide
CID 54793158
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-heptoxybenzohydrazide?
The IUPAC name of 3-heptoxybenzohydrazide (CID 54793165) is 3-heptoxybenzohydrazide.
What is the SMILES notation for 3-heptoxybenzohydrazide?
The canonical SMILES for 3-heptoxybenzohydrazide is CCCCCCCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-heptoxybenzohydrazide?
The InChIKey is LFKDIWSLHUGOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-4-5-6-10-18-13-9-7-8-12(11-13)14(17)16-15/h7-9,11H,2-6,10,15H2,1H3,(H,16,17).
What are the key properties of 3-heptoxybenzohydrazide?
3-heptoxybenzohydrazide has a molecular weight of 250.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxybenzohydrazide is sourced from PubChem (CID 54793165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).