2-[2-(pentoxymethyl)phenyl]acetohydrazide

C14H22N2O2 — CID 115465239

IUPAC2-[2-(pentoxymethyl)phenyl]acetohydrazide
SMILESCCCCCOCc1ccccc1CC(=O)NN
InChIInChI=1S/C14H22N2O2/c1-2-3-6-9-18-11-13-8-5-4-7-12(13)10-14(17)16-15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17)
InChIKeyQDVGGWGSIOHJKW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.93
Rot. Bonds8

About 2-[2-(pentoxymethyl)phenyl]acetohydrazide

2-[2-(pentoxymethyl)phenyl]acetohydrazide (PubChem CID 115465239) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(pentoxymethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(pentoxymethyl)phenyl]acetohydrazide
PubChem CID115465239
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-(pentoxymethyl)phenyl]acetohydrazide
SMILESCCCCCOCc1ccccc1CC(=O)NN
InChIInChI=1S/C14H22N2O2/c1-2-3-6-9-18-11-13-8-5-4-7-12(13)10-14(17)16-15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17)
InChIKeyQDVGGWGSIOHJKW-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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

2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
CID 115465158
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
[2-(4-chlorobutoxymethyl)phenyl]methyl N-octadecylcarbamate
CID 139843187
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pentoxymethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2-(pentoxymethyl)phenyl]acetohydrazide (CID 115465239) is 2-[2-(pentoxymethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-(pentoxymethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2-(pentoxymethyl)phenyl]acetohydrazide is CCCCCOCc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-(pentoxymethyl)phenyl]acetohydrazide?
The InChIKey is QDVGGWGSIOHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-6-9-18-11-13-8-5-4-7-12(13)10-14(17)16-15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-(pentoxymethyl)phenyl]acetohydrazide?
2-[2-(pentoxymethyl)phenyl]acetohydrazide has a molecular weight of 250.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pentoxymethyl)phenyl]acetohydrazide is sourced from PubChem (CID 115465239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).