N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide

C13H20N2O2 — CID 116820828

IUPACN',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
SMILESCC(C)c1cccc(OCC(=O)NN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)11-6-5-7-12(8-11)17-9-13(16)14-15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyWIINYCGOGBAMSE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.78
Rot. Bonds5

About N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide

N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide (PubChem CID 116820828) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
PubChem CID116820828
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
SMILESCC(C)c1cccc(OCC(=O)NN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)11-6-5-7-12(8-11)17-9-13(16)14-15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyWIINYCGOGBAMSE-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-(2-hydroxypropyl)-N-methyl-2-(3-propan-2-ylphenoxy)acetamide
CID 55060918
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 103801162
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide (CID 116820828) is N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide is CC(C)c1cccc(OCC(=O)NN(C)C)c1.
What is the InChIKey of N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is WIINYCGOGBAMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)11-6-5-7-12(8-11)17-9-13(16)14-15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16).
What are the key properties of N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 116820828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).