N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide

C19H20N2O3 — CID 54110815

IUPACN'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide
SMILESCC(C)(C)NN(C(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)20-21(17(23)15-12-8-5-9-13-15)18(24)16(22)14-10-6-4-7-11-14/h4-13,20H,1-3H3
InChIKeyNGYNVFMCVIYWPF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.84
Rot. Bonds4

About N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide

N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide (PubChem CID 54110815) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide
PubChem CID54110815
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide
SMILESCC(C)(C)NN(C(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)20-21(17(23)15-12-8-5-9-13-15)18(24)16(22)14-10-6-4-7-11-14/h4-13,20H,1-3H3
InChIKeyNGYNVFMCVIYWPF-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenacyl N-(tert-butylamino)-N-(4-chlorobenzoyl)carbamate
CID 173280625
N-tert-butyl-2-oxo-2-phenylacetamide
CID 10965642
N-(2-oxo-2-phenylacetyl)-N-phenylbenzamide
CID 11782445
N'-tert-butyl-3-methyl-N-(4-prop-1-en-2-ylbenzoyl)benzohydrazide
CID 139683585
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1,2-diphenylethane-1,2-dione;2-oxo-2-(N-phenylanilino)acetic acid
CID 174668651
tert-butyl N-benzoyl-N-(chloroamino)carbamate
CID 86607133
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide (CID 54110815) is N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide is CC(C)(C)NN(C(=O)C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide?
The InChIKey is NGYNVFMCVIYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,3)20-21(17(23)15-12-8-5-9-13-15)18(24)16(22)14-10-6-4-7-11-14/h4-13,20H,1-3H3.
What are the key properties of N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide?
N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide has a molecular weight of 324.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-oxo-2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 54110815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).