4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide

C21H26N2O3 — CID 9327517

IUPAC4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-14-6-11-18(26-5)16(12-14)13-19(24)22-23-20(25)15-7-9-17(10-8-15)21(2,3)4/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyZKPRFWCIACVDGH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.30
Rot. Bonds4

About 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide

4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide (PubChem CID 9327517) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
PubChem CID9327517
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-14-6-11-18(26-5)16(12-14)13-19(24)22-23-20(25)15-7-9-17(10-8-15)21(2,3)4/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyZKPRFWCIACVDGH-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.30
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-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide (CID 9327517) is 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide is COc1ccc(C)cc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
The InChIKey is ZKPRFWCIACVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-6-11-18(26-5)16(12-14)13-19(24)22-23-20(25)15-7-9-17(10-8-15)21(2,3)4/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide?
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.30, 4 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-methoxy-5-methylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 9327517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).