4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide

C22H28N2O3 — CID 4932135

IUPAC4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccccc1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-6-18(27-19-10-8-7-9-15(19)2)21(26)24-23-20(25)16-11-13-17(14-12-16)22(3,4)5/h7-14,18H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRQNAELNFFLPSPH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.91
Rot. Bonds5

About 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide

4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide (PubChem CID 4932135) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
PubChem CID4932135
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccccc1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-6-18(27-19-10-8-7-9-15(19)2)21(26)24-23-20(25)16-11-13-17(14-12-16)22(3,4)5/h7-14,18H,6H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRQNAELNFFLPSPH-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932168
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
N'-[2-(2-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4932128
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
3-chloro-N'-[2-(2-methylphenoxy)butanoyl]-1-benzothiophene-2-carbohydrazide
CID 4932040
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(2-methylphenoxy)butanehydrazide
CID 4931994
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
propyl 4-[2-[2-[2-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927797

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide (CID 4932135) is 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide is CCC(Oc1ccccc1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
The InChIKey is RQNAELNFFLPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-18(27-19-10-8-7-9-15(19)2)21(26)24-23-20(25)16-11-13-17(14-12-16)22(3,4)5/h7-14,18H,6H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 4932135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).