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

C19H22N2O2 — CID 795873

IUPAC4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)16-11-9-15(10-12-16)18(23)21-20-17(22)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZFLFROCKVOGVIJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds3

About 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide

4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 795873) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide
PubChem CID795873
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)16-11-9-15(10-12-16)18(23)21-20-17(22)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZFLFROCKVOGVIJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
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

Tebufenozide
CID 91773
Benmoxin
CID 71671
1,2-Dibenzoyl-1-(tert-butyl)hydrazine
CID 86307
p-(tert-Butyl)benzamide
CID 92014
Benzoic acid, 2-benzoylhydrazide
CID 13085
p-Toluohydrazide
CID 77174
m-Toluohydrazide
CID 83082
2'-(4-Methylbenzoyl)-2-naphthohydrazide
CID 96762
o-Toluohydrazide
CID 82110
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
CID 123513
N'-(4-acetylbenzoyl)-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 101920483
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide (CID 795873) is 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is ZFLFROCKVOGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)16-11-9-15(10-12-16)18(23)21-20-17(22)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide?
4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 310.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 795873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).