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

C22H27BrN2O5 — CID 4943032

IUPACN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H27BrN2O5/c1-14(30-17-9-7-16(28-5)8-10-17)21(27)25-24-20(26)13-29-19-11-6-15(12-18(19)23)22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyYKKOHVYWBMKVFE-UHFFFAOYSA-N
MW479.37 g/mol
LogP3.75
Rot. Bonds7

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

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide (PubChem CID 4943032) has the molecular formula C22H27BrN2O5 and a molecular weight of 479.37 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
PubChem CID4943032
Molecular FormulaC22H27BrN2O5
Molecular Weight479.37 g/mol
Exact Mass478.11
IUPAC NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H27BrN2O5/c1-14(30-17-9-7-16(28-5)8-10-17)21(27)25-24-20(26)13-29-19-11-6-15(12-18(19)23)22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyYKKOHVYWBMKVFE-UHFFFAOYSA-N
XLogP3.75
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenoxypropanehydrazide
CID 4940151
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-tert-butylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 4950294
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141442
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169454
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
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
(E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6231391
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide (CID 4943032) is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide is COc1ccc(OC(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide?
The InChIKey is YKKOHVYWBMKVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O5/c1-14(30-17-9-7-16(28-5)8-10-17)21(27)25-24-20(26)13-29-19-11-6-15(12-18(19)23)22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide?
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide has a molecular weight of 479.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide is sourced from PubChem (CID 4943032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).