2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide

C22H28N2O4 — CID 4945068

IUPAC2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2O4/c1-15-6-11-19(16(2)12-15)28-14-21(26)24-23-20(25)13-27-18-9-7-17(8-10-18)22(3,4)5/h6-12H,13-14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyZISIPXXPHIIQHN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide

2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide (PubChem CID 4945068) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
PubChem CID4945068
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2O4/c1-15-6-11-19(16(2)12-15)28-14-21(26)24-23-20(25)13-27-18-9-7-17(8-10-18)22(3,4)5/h6-12H,13-14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyZISIPXXPHIIQHN-UHFFFAOYSA-N
XLogP3.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
CID 17093328
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide (CID 4945068) is 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide is Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide?
The InChIKey is ZISIPXXPHIIQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-6-11-19(16(2)12-15)28-14-21(26)24-23-20(25)13-27-18-9-7-17(8-10-18)22(3,4)5/h6-12H,13-14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide?
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4945068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).