N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide

C21H25BrN2O4 — CID 4940151

IUPACN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H25BrN2O4/c1-14(28-16-8-6-5-7-9-16)20(26)24-23-19(25)13-27-18-11-10-15(12-17(18)22)21(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyTVXSJFJRRKRBLA-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.74
Rot. Bonds6

About N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide (PubChem CID 4940151) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
PubChem CID4940151
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H25BrN2O4/c1-14(28-16-8-6-5-7-9-16)20(26)24-23-19(25)13-27-18-11-10-15(12-17(18)22)21(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyTVXSJFJRRKRBLA-UHFFFAOYSA-N
XLogP3.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.74
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-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 4943032
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951428
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 42579286
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928809
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 4950294
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141442
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide (CID 4940151) is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide is CC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide?
The InChIKey is TVXSJFJRRKRBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-14(28-16-8-6-5-7-9-16)20(26)24-23-19(25)13-27-18-11-10-15(12-17(18)22)21(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide?
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide has a molecular weight of 449.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide is sourced from PubChem (CID 4940151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).