2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide

C14H20N2O2 — CID 79626134

IUPAC2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
SMILESCC=Cc1ccccc1OCC(C)(C)C(=O)NN
InChIInChI=1S/C14H20N2O2/c1-4-7-11-8-5-6-9-12(11)18-10-14(2,3)13(17)16-15/h4-9H,10,15H2,1-3H3,(H,16,17)
InChIKeyNADOMKISBUKIMG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.11
Rot. Bonds5

About 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide

2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide (PubChem CID 79626134) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
PubChem CID79626134
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
SMILESCC=Cc1ccccc1OCC(C)(C)C(=O)NN
InChIInChI=1S/C14H20N2O2/c1-4-7-11-8-5-6-9-12(11)18-10-14(2,3)13(17)16-15/h4-9H,10,15H2,1-3H3,(H,16,17)
InChIKeyNADOMKISBUKIMG-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.11
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'}

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Related Compounds

3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
CID 79629052
2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
CID 169464346
ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
CID 89249565
1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999454
1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 63566014
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide (CID 79626134) is 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide is CC=Cc1ccccc1OCC(C)(C)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide?
The InChIKey is NADOMKISBUKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-7-11-8-5-6-9-12(11)18-10-14(2,3)13(17)16-15/h4-9H,10,15H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide?
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide has a molecular weight of 248.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide is sourced from PubChem (CID 79626134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).