5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide

C14H22N2O2 — CID 116847946

IUPAC5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NN(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-7-8-12(18-6)11(9-10)13(17)15-16(4)5/h7-9H,1-6H3,(H,15,17)
InChIKeyJGGQAAVRAFOHLF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds3

About 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide

5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide (PubChem CID 116847946) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
PubChem CID116847946
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NN(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-7-8-12(18-6)11(9-10)13(17)15-16(4)5/h7-9H,1-6H3,(H,15,17)
InChIKeyJGGQAAVRAFOHLF-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
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

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4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide?
The IUPAC name of 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide (CID 116847946) is 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide is COc1ccc(C(C)(C)C)cc1C(=O)NN(C)C.
What is the InChIKey of 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide?
The InChIKey is JGGQAAVRAFOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)10-7-8-12(18-6)11(9-10)13(17)15-16(4)5/h7-9H,1-6H3,(H,15,17).
What are the key properties of 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide?
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide has a molecular weight of 250.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 116847946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).