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

C20H23BrN2O4 — CID 4961122

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O4/c1-12-9-16(21)10-13(2)19(12)27-14(3)20(25)23-22-18(24)11-15-5-7-17(26-4)8-6-15/h5-10,14H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDMPJLITWYIDEJE-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.23
Rot. Bonds6

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

2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide (PubChem CID 4961122) 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-(4-methoxyphenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
PubChem CID4961122
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O4/c1-12-9-16(21)10-13(2)19(12)27-14(3)20(25)23-22-18(24)11-15-5-7-17(26-4)8-6-15/h5-10,14H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDMPJLITWYIDEJE-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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

(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4953442
(2S)-2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 9237683
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-4-(2-methylpropoxy)benzohydrazide
CID 4961190
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-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide (CID 4961122) is 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide is COc1ccc(CC(=O)NNC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
The InChIKey is DMPJLITWYIDEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-12-9-16(21)10-13(2)19(12)27-14(3)20(25)23-22-18(24)11-15-5-7-17(26-4)8-6-15/h5-10,14H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide has a molecular weight of 435.32 g/mol, XLogP of 3.23, 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-(4-methoxyphenyl)acetyl]propanehydrazide is sourced from PubChem (CID 4961122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).