2-pentoxybenzohydrazide

C12H18N2O2 — CID 54793215

IUPAC2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NN
InChIInChI=1S/C12H18N2O2/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(15)14-13/h4-5,7-8H,2-3,6,9,13H2,1H3,(H,14,15)
InChIKeyNDJKBTAZGJPFAN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds6

About 2-pentoxybenzohydrazide

2-pentoxybenzohydrazide (PubChem CID 54793215) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-pentoxybenzohydrazide.

Molecular Properties

Compound Name2-pentoxybenzohydrazide
PubChem CID54793215
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NN
InChIInChI=1S/C12H18N2O2/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(15)14-13/h4-5,7-8H,2-3,6,9,13H2,1H3,(H,14,15)
InChIKeyNDJKBTAZGJPFAN-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

N-hydroxy-2-tetradecoxybenzamide
CID 18962633
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
2-pentoxybenzoic acid;hydrochloride
CID 70416265
butyl 2-nonoxybenzoate
CID 151830441
butyl 2-octoxybenzoate
CID 50943104
hexyl 2-butoxybenzoate
CID 70562326
pentyl 2-propoxybenzoate
CID 70564677

Frequently Asked Questions

What is the IUPAC name of 2-pentoxybenzohydrazide?
The IUPAC name of 2-pentoxybenzohydrazide (CID 54793215) is 2-pentoxybenzohydrazide.
What is the SMILES notation for 2-pentoxybenzohydrazide?
The canonical SMILES for 2-pentoxybenzohydrazide is CCCCCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-pentoxybenzohydrazide?
The InChIKey is NDJKBTAZGJPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(15)14-13/h4-5,7-8H,2-3,6,9,13H2,1H3,(H,14,15).
What are the key properties of 2-pentoxybenzohydrazide?
2-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 2-pentoxybenzohydrazide is sourced from PubChem (CID 54793215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).