4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

C23H24N2O2 — CID 1378769

IUPAC4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)19-13-11-17(12-14-19)22(27)25-24-21(26)15-18-9-6-8-16-7-4-5-10-20(16)18/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMIGACCBJUWPQIS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.14
Rot. Bonds3

About 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (PubChem CID 1378769) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
PubChem CID1378769
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)19-13-11-17(12-14-19)22(27)25-24-21(26)15-18-9-6-8-16-7-4-5-10-20(16)18/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMIGACCBJUWPQIS-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (CID 1378769) is 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The InChIKey is MIGACCBJUWPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)19-13-11-17(12-14-19)22(27)25-24-21(26)15-18-9-6-8-16-7-4-5-10-20(16)18/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
4-tert-butyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide has a molecular weight of 360.46 g/mol, XLogP of 4.14, 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-naphthalen-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 1378769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).