2-(4-tert-butylphenoxy)-N'-methylacetohydrazide

C13H20N2O2 — CID 116820676

IUPAC2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
SMILESCNNC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)10-5-7-11(8-6-10)17-9-12(16)15-14-4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyOLBXZLDRGALDRR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide

2-(4-tert-butylphenoxy)-N'-methylacetohydrazide (PubChem CID 116820676) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
PubChem CID116820676
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
SMILESCNNC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)10-5-7-11(8-6-10)17-9-12(16)15-14-4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyOLBXZLDRGALDRR-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846699
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide (CID 116820676) is 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide is CNNC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide?
The InChIKey is OLBXZLDRGALDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)10-5-7-11(8-6-10)17-9-12(16)15-14-4/h5-8,14H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide?
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N'-methylacetohydrazide is sourced from PubChem (CID 116820676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).