2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide

C16H26N2O — CID 116845949

IUPAC2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide
SMILESCc1cc(C(C)(C)C)ccc1C(C)(C)C(=O)N(C)N
InChIInChI=1S/C16H26N2O/c1-11-10-12(15(2,3)4)8-9-13(11)16(5,6)14(19)18(7)17/h8-10H,17H2,1-7H3
InChIKeyQUPXASJQVFBYTN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds2

About 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide

2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide (PubChem CID 116845949) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide
PubChem CID116845949
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide
SMILESCc1cc(C(C)(C)C)ccc1C(C)(C)C(=O)N(C)N
InChIInChI=1S/C16H26N2O/c1-11-10-12(15(2,3)4)8-9-13(11)16(5,6)14(19)18(7)17/h8-10H,17H2,1-7H3
InChIKeyQUPXASJQVFBYTN-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,4-dimethylphenyl)-N,2-dimethylpropanehydrazide
CID 116845892
N,2-dimethyl-2-(2,4,6-trimethylphenyl)propanehydrazide
CID 116845906
2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
CID 116845891
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490
4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
CID 116848948
2-(3,4-dimethylphenyl)-N',N',2-trimethylpropanehydrazide
CID 116848187
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
CID 115192000
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
2-(2,4-ditert-butylphenyl)acetamide
CID 134462410
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide (CID 116845949) is 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide is Cc1cc(C(C)(C)C)ccc1C(C)(C)C(=O)N(C)N.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide?
The InChIKey is QUPXASJQVFBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-10-12(15(2,3)4)8-9-13(11)16(5,6)14(19)18(7)17/h8-10H,17H2,1-7H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide?
2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide has a molecular weight of 262.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-N,2-dimethylpropanehydrazide is sourced from PubChem (CID 116845949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).