N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide

C22H28N2O3 — CID 101134356

IUPACN-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide
SMILESCCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-7-27-19-10-8-9-17(14-19)20(25)23-24(22(4,5)6)21(26)18-12-15(2)11-16(3)13-18/h8-14H,7H2,1-6H3,(H,23,25)
InChIKeyMZKUTFSSIFVTKY-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.29
Rot. Bonds4

About N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide

N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide (PubChem CID 101134356) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide
PubChem CID101134356
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide
SMILESCCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-7-27-19-10-8-9-17(14-19)20(25)23-24(22(4,5)6)21(26)18-12-15(2)11-16(3)13-18/h8-14H,7H2,1-6H3,(H,23,25)
InChIKeyMZKUTFSSIFVTKY-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide (CID 101134356) is N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide is CCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide?
The InChIKey is MZKUTFSSIFVTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-7-27-19-10-8-9-17(14-19)20(25)23-24(22(4,5)6)21(26)18-12-15(2)11-16(3)13-18/h8-14H,7H2,1-6H3,(H,23,25).
What are the key properties of N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide?
N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(3-ethoxybenzoyl)-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 101134356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).