2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide

C24H25BrN2O4 — CID 4922415

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C24H25BrN2O4/c1-24(2,3)17-11-12-21(19(25)13-17)31-15-23(29)27-26-22(28)14-30-20-10-6-8-16-7-4-5-9-18(16)20/h4-13H,14-15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOAUBPQAAXYEAFY-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.51
Rot. Bonds6

About 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide

2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide (PubChem CID 4922415) has the molecular formula C24H25BrN2O4 and a molecular weight of 485.38 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
PubChem CID4922415
Molecular FormulaC24H25BrN2O4
Molecular Weight485.38 g/mol
Exact Mass484.10
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C24H25BrN2O4/c1-24(2,3)17-11-12-21(19(25)13-17)31-15-23(29)27-26-22(28)14-30-20-10-6-8-16-7-4-5-9-18(16)20/h4-13H,14-15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOAUBPQAAXYEAFY-UHFFFAOYSA-N
XLogP4.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.51
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

2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135588897
N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
CID 53268539
N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4922523
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide
CID 17133652

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide (CID 4922415) is 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide?
The InChIKey is OAUBPQAAXYEAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4/c1-24(2,3)17-11-12-21(19(25)13-17)31-15-23(29)27-26-22(28)14-30-20-10-6-8-16-7-4-5-9-18(16)20/h4-13H,14-15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide?
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide has a molecular weight of 485.38 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide is sourced from PubChem (CID 4922415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).