N'-(3,3-dimethylbutanoyl)benzohydrazide

C13H18N2O2 — CID 24654425

IUPACN'-(3,3-dimethylbutanoyl)benzohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)9-11(16)14-15-12(17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXXBLYELZKZUYFN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds2

About N'-(3,3-dimethylbutanoyl)benzohydrazide

N'-(3,3-dimethylbutanoyl)benzohydrazide (PubChem CID 24654425) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-(3,3-dimethylbutanoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutanoyl)benzohydrazide
PubChem CID24654425
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-(3,3-dimethylbutanoyl)benzohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)9-11(16)14-15-12(17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXXBLYELZKZUYFN-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-but-2-enoate
CID 2507898

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutanoyl)benzohydrazide?
The IUPAC name of N'-(3,3-dimethylbutanoyl)benzohydrazide (CID 24654425) is N'-(3,3-dimethylbutanoyl)benzohydrazide.
What is the SMILES notation for N'-(3,3-dimethylbutanoyl)benzohydrazide?
The canonical SMILES for N'-(3,3-dimethylbutanoyl)benzohydrazide is CC(C)(C)CC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(3,3-dimethylbutanoyl)benzohydrazide?
The InChIKey is XXBLYELZKZUYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)9-11(16)14-15-12(17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3,3-dimethylbutanoyl)benzohydrazide?
N'-(3,3-dimethylbutanoyl)benzohydrazide has a molecular weight of 234.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutanoyl)benzohydrazide is sourced from PubChem (CID 24654425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).