2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide

C13H20N2O2 — CID 116843348

IUPAC2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(C(C)(C)C)cc1CC(=O)NN
InChIInChI=1S/C13H20N2O2/c1-13(2,3)10-5-6-11(17-4)9(7-10)8-12(16)15-14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyTYQOLQJGQZDEEX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds3

About 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide

2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide (PubChem CID 116843348) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
PubChem CID116843348
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(C(C)(C)C)cc1CC(=O)NN
InChIInChI=1S/C13H20N2O2/c1-13(2,3)10-5-6-11(17-4)9(7-10)8-12(16)15-14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyTYQOLQJGQZDEEX-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
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

2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
sodium 2-(5-tert-butyl-2-methoxyphenyl)acetate
CID 18684898
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767353
methyl 4-(5-tert-butyl-2-methoxyphenyl)-3-chlorobutanoate
CID 82352079
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
4-tert-butyl-1-methoxy-2-(methylsulfonylmethyl)benzene
CID 160796966

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide (CID 116843348) is 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide is COc1ccc(C(C)(C)C)cc1CC(=O)NN.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide?
The InChIKey is TYQOLQJGQZDEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)10-5-6-11(17-4)9(7-10)8-12(16)15-14/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide?
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 116843348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).