N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide

C23H23BrN2O4 — CID 4940220

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C23H23BrN2O4/c1-3-16-8-11-21(20(24)12-16)29-14-22(27)25-26-23(28)15(2)30-19-10-9-17-6-4-5-7-18(17)13-19/h4-13,15H,3,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJERZPPXSIDMYPY-UHFFFAOYSA-N
MW471.35 g/mol
LogP4.16
Rot. Bonds7

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 4940220) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID4940220
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C23H23BrN2O4/c1-3-16-8-11-21(20(24)12-16)29-14-22(27)25-26-23(28)15(2)30-19-10-9-17-6-4-5-7-18(17)13-19/h4-13,15H,3,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJERZPPXSIDMYPY-UHFFFAOYSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 54.16
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-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 4940220) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide is CCc1ccc(OCC(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is JERZPPXSIDMYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4/c1-3-16-8-11-21(20(24)12-16)29-14-22(27)25-26-23(28)15(2)30-19-10-9-17-6-4-5-7-18(17)13-19/h4-13,15H,3,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 471.35 g/mol, XLogP of 4.16, 7 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-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 4940220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).