2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide

C20H23BrN2O4 — CID 4961130

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)C(C)Oc1c(C)cc(Br)cc1C
InChIInChI=1S/C20H23BrN2O4/c1-12-7-5-6-8-17(12)26-11-18(24)22-23-20(25)15(4)27-19-13(2)9-16(21)10-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRLXPDFPNDHHDFG-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide

2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide (PubChem CID 4961130) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
PubChem CID4961130
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)C(C)Oc1c(C)cc(Br)cc1C
InChIInChI=1S/C20H23BrN2O4/c1-12-7-5-6-8-17(12)26-11-18(24)22-23-20(25)15(4)27-19-13(2)9-16(21)10-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRLXPDFPNDHHDFG-UHFFFAOYSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.37
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-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
CID 4958704
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9297781
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 9469812
propyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4961187
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4961122
2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
CID 4944212
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide (CID 4961130) is 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide is Cc1ccccc1OCC(=O)NNC(=O)C(C)Oc1c(C)cc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide?
The InChIKey is RLXPDFPNDHHDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-12-7-5-6-8-17(12)26-11-18(24)22-23-20(25)15(4)27-19-13(2)9-16(21)10-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide?
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 4961130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).