2-(3-propan-2-ylphenoxy)butanehydrazide

C13H20N2O2 — CID 55213791

IUPAC2-(3-propan-2-ylphenoxy)butanehydrazide
SMILESCCC(Oc1cccc(C(C)C)c1)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-4-12(13(16)15-14)17-11-7-5-6-10(8-11)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyJGENHLKVAUKEMV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.96
Rot. Bonds5

About 2-(3-propan-2-ylphenoxy)butanehydrazide

2-(3-propan-2-ylphenoxy)butanehydrazide (PubChem CID 55213791) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)butanehydrazide
PubChem CID55213791
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-propan-2-ylphenoxy)butanehydrazide
SMILESCCC(Oc1cccc(C(C)C)c1)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-4-12(13(16)15-14)17-11-7-5-6-10(8-11)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyJGENHLKVAUKEMV-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-propan-2-ylphenoxy)butanehydrazide 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

N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
2-(4-propylphenoxy)butanehydrazide
CID 63570904
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
CID 133240098
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
2-(3-methylsulfonylphenoxy)pentanehydrazide
CID 83048030
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
CID 43108212
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)butanehydrazide?
The IUPAC name of 2-(3-propan-2-ylphenoxy)butanehydrazide (CID 55213791) is 2-(3-propan-2-ylphenoxy)butanehydrazide.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)butanehydrazide?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)butanehydrazide is CCC(Oc1cccc(C(C)C)c1)C(=O)NN.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)butanehydrazide?
The InChIKey is JGENHLKVAUKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(13(16)15-14)17-11-7-5-6-10(8-11)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-propan-2-ylphenoxy)butanehydrazide?
2-(3-propan-2-ylphenoxy)butanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)butanehydrazide is sourced from PubChem (CID 55213791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).