N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide

C22H28N2O2 — CID 175027495

IUPACN'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide
SMILESCC(C)c1cccc(CC(C)(C)C)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-15(2)18-13-9-12-17(14-22(3,4)5)19(18)21(26)24-23-20(25)16-10-7-6-8-11-16/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyHCSISJWVVHEDRI-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.47
Rot. Bonds4

About N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide

N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide (PubChem CID 175027495) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide
PubChem CID175027495
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide
SMILESCC(C)c1cccc(CC(C)(C)C)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-15(2)18-13-9-12-17(14-22(3,4)5)19(18)21(26)24-23-20(25)16-10-7-6-8-11-16/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyHCSISJWVVHEDRI-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.47
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

1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
2-(2,2-dimethylpropyl)-N-phenyl-6-propan-2-ylaniline
CID 175179902
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051
N-(2-propan-2-ylphenyl)benzamide
CID 723391
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-(2-amino-3-methylbutanoyl)benzohydrazide
CID 82116600

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide?
The IUPAC name of N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide (CID 175027495) is N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide is CC(C)c1cccc(CC(C)(C)C)c1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide?
The InChIKey is HCSISJWVVHEDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15(2)18-13-9-12-17(14-22(3,4)5)19(18)21(26)24-23-20(25)16-10-7-6-8-11-16/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide?
N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide has a molecular weight of 352.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-(2,2-dimethylpropyl)-6-propan-2-ylbenzohydrazide is sourced from PubChem (CID 175027495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).