2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide

C20H23BrN2O3 — CID 4961108

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-13-11-17(21)12-14(2)19(13)26-15(3)20(25)23-22-18(24)10-9-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYNKGLTSAEZPMHR-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide

2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide (PubChem CID 4961108) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
PubChem CID4961108
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-13-11-17(21)12-14(2)19(13)26-15(3)20(25)23-22-18(24)10-9-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYNKGLTSAEZPMHR-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4961122
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912153
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4961119

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide (CID 4961108) is 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide is Cc1cc(Br)cc(C)c1OC(C)C(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
The InChIKey is YNKGLTSAEZPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13-11-17(21)12-14(2)19(13)26-15(3)20(25)23-22-18(24)10-9-16-7-5-4-6-8-16/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide has a molecular weight of 419.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide is sourced from PubChem (CID 4961108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).