2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide

C16H24N2O2 — CID 106206559

IUPAC2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(16(19)18-17)15-7-5-14(6-8-15)11-20-10-9-13-3-2-4-13/h5-8,12-13H,2-4,9-11,17H2,1H3,(H,18,19)
InChIKeyAVVDKNJMKKNFOC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds7

About 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide

2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide (PubChem CID 106206559) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
PubChem CID106206559
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(16(19)18-17)15-7-5-14(6-8-15)11-20-10-9-13-3-2-4-13/h5-8,12-13H,2-4,9-11,17H2,1H3,(H,18,19)
InChIKeyAVVDKNJMKKNFOC-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
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'}

Analyze 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-{[2-(3-cyclohexen-1-ylcarbonyl)hydrazino]carbonyl}benzoate
CID 11835257
1-[2-[4-(2-Methylpropyl)phenyl]propanoylamino]-3-phenylmethoxyurea
CID 59052147
1-[2-[4-(2-Methylpropyl)phenyl]propanoylamino]-3-(phenylmethoxycarbamoylamino)urea
CID 59052286
Benzyl 3-hydrazinyl-3-oxo-2-phenylpropanoate
CID 44460038
2-[3-Fluoro-4-(2-methoxyethoxymethyl)phenyl]propanamide
CID 140597226
N'-(3-methylbutanoyl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 24625300
6-[(2-Fluorophenyl)methoxy]hexanehydrazide
CID 64290676
2-[2-(2,2-Difluoroethoxymethyl)phenyl]acetohydrazide
CID 82010141
2-[2-(4,4,4-Trifluorobutoxymethyl)phenyl]acetohydrazide
CID 82791542
2-[2-(3,3,3-Trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
2-[4-(2,2,2-Trifluoroethoxymethyl)phenyl]acetohydrazide
CID 105351362
2-[4-(2,2,2-Trifluoroethoxymethyl)phenyl]propanehydrazide
CID 105351363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide (CID 106206559) is 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(COCCC2CCC2)cc1.
What is the InChIKey of 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide?
The InChIKey is AVVDKNJMKKNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(16(19)18-17)15-7-5-14(6-8-15)11-20-10-9-13-3-2-4-13/h5-8,12-13H,2-4,9-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide?
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide has a molecular weight of 276.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide is sourced from PubChem (CID 106206559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).