N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C23H29BrN2O3 — CID 54782133

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)c(Br)c1
InChIInChI=1S/C23H29BrN2O3/c1-5-17-8-11-21(20(24)13-17)29-14-22(27)25-26-23(28)16(4)19-9-6-18(7-10-19)12-15(2)3/h6-11,13,15-16H,5,12,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyKSWUZIUDKRPWSA-UHFFFAOYSA-N
MW461.40 g/mol
LogP4.54
Rot. Bonds8

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 54782133) has the molecular formula C23H29BrN2O3 and a molecular weight of 461.40 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID54782133
Molecular FormulaC23H29BrN2O3
Molecular Weight461.40 g/mol
Exact Mass460.14
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)c(Br)c1
InChIInChI=1S/C23H29BrN2O3/c1-5-17-8-11-21(20(24)13-17)29-14-22(27)25-26-23(28)16(4)19-9-6-18(7-10-19)12-15(2)3/h6-11,13,15-16H,5,12,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyKSWUZIUDKRPWSA-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782216
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940220
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782220
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28577029

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 54782133) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is CCc1ccc(OCC(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is KSWUZIUDKRPWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3/c1-5-17-8-11-21(20(24)13-17)29-14-22(27)25-26-23(28)16(4)19-9-6-18(7-10-19)12-15(2)3/h6-11,13,15-16H,5,12,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 461.40 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 54782133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).