2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide

C14H22N2O2 — CID 116846169

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
SMILESCNNC(=O)Cc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-14(2,3)11-6-7-12(18-5)10(8-11)9-13(17)16-15-4/h6-8,15H,9H2,1-5H3,(H,16,17)
InChIKeyVGEGPNPTNNKARL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide

2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide (PubChem CID 116846169) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
PubChem CID116846169
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
SMILESCNNC(=O)Cc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-14(2,3)11-6-7-12(18-5)10(8-11)9-13(17)16-15-4/h6-8,15H,9H2,1-5H3,(H,16,17)
InChIKeyVGEGPNPTNNKARL-UHFFFAOYSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.79
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

2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
sodium 2-(5-tert-butyl-2-methoxyphenyl)acetate
CID 18684898
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide (CID 116846169) is 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide is CNNC(=O)Cc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide?
The InChIKey is VGEGPNPTNNKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)11-6-7-12(18-5)10(8-11)9-13(17)16-15-4/h6-8,15H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide?
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide has a molecular weight of 250.34 g/mol, XLogP of 1.79, 4 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)-N'-methylacetohydrazide is sourced from PubChem (CID 116846169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).