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

C20H23BrN2O4 — CID 4958704

IUPACN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-12-8-9-17(16(21)10-12)26-11-18(24)22-23-20(25)15(4)27-19-13(2)6-5-7-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGTTNORNPGRBPEX-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.37
Rot. Bonds6

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

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide (PubChem CID 4958704) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
PubChem CID4958704
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)c(Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-12-8-9-17(16(21)10-12)26-11-18(24)22-23-20(25)15(4)27-19-13(2)6-5-7-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGTTNORNPGRBPEX-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

(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9297781
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944233
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-3-propan-2-yloxybenzohydrazide
CID 17142569
(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 40572245
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide (CID 4958704) is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide is Cc1ccc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide?
The InChIKey is GTTNORNPGRBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-12-8-9-17(16(21)10-12)26-11-18(24)22-23-20(25)15(4)27-19-13(2)6-5-7-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide?
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)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 N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide is sourced from PubChem (CID 4958704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).