3-pentoxybenzohydrazide

C12H18N2O2 — CID 54793157

IUPAC3-pentoxybenzohydrazide
SMILESCCCCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-8-16-11-7-5-6-10(9-11)12(15)14-13/h5-7,9H,2-4,8,13H2,1H3,(H,14,15)
InChIKeyLHUSPSVWOXHSQH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds6

About 3-pentoxybenzohydrazide

3-pentoxybenzohydrazide (PubChem CID 54793157) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-pentoxybenzohydrazide.

Molecular Properties

Compound Name3-pentoxybenzohydrazide
PubChem CID54793157
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-pentoxybenzohydrazide
SMILESCCCCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-8-16-11-7-5-6-10(9-11)12(15)14-13/h5-7,9H,2-4,8,13H2,1H3,(H,14,15)
InChIKeyLHUSPSVWOXHSQH-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.86
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-heptoxybenzohydrazide
CID 54793165
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
methyl 3-octoxybenzoate
CID 72706029
1-(3-henicosoxyphenyl)ethanone
CID 23127401
4-pentoxybenzohydrazide
CID 2727702
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-tetradecoxybenzoate
CID 168826216
3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
CID 63583247
methyl 3-(3-octadecoxyphenyl)-3-oxopropanoate
CID 23036064
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 107760958

Frequently Asked Questions

What is the IUPAC name of 3-pentoxybenzohydrazide?
The IUPAC name of 3-pentoxybenzohydrazide (CID 54793157) is 3-pentoxybenzohydrazide.
What is the SMILES notation for 3-pentoxybenzohydrazide?
The canonical SMILES for 3-pentoxybenzohydrazide is CCCCCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-pentoxybenzohydrazide?
The InChIKey is LHUSPSVWOXHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-8-16-11-7-5-6-10(9-11)12(15)14-13/h5-7,9H,2-4,8,13H2,1H3,(H,14,15).
What are the key properties of 3-pentoxybenzohydrazide?
3-pentoxybenzohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxybenzohydrazide is sourced from PubChem (CID 54793157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).