4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide

C20H23BrN2O5 — CID 55738830

IUPAC4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C20H23BrN2O5/c1-2-26-17-10-5-6-11-18(17)28-14-20(25)23-22-19(24)12-7-13-27-16-9-4-3-8-15(16)21/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXWBPDYVREXBTSO-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.23
Rot. Bonds10

About 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide

4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide (PubChem CID 55738830) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
PubChem CID55738830
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C20H23BrN2O5/c1-2-26-17-10-5-6-11-18(17)28-14-20(25)23-22-19(24)12-7-13-27-16-9-4-3-8-15(16)21/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXWBPDYVREXBTSO-UHFFFAOYSA-N
XLogP3.23
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037306
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N'-[4-(2-ethoxyphenoxy)butanoyl]cyclohexanecarbohydrazide
CID 9327136
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
CID 26311228
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide?
The IUPAC name of 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide (CID 55738830) is 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide?
The canonical SMILES for 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide is CCOc1ccccc1OCC(=O)NNC(=O)CCCOc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide?
The InChIKey is XWBPDYVREXBTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-2-26-17-10-5-6-11-18(17)28-14-20(25)23-22-19(24)12-7-13-27-16-9-4-3-8-15(16)21/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide?
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide has a molecular weight of 451.32 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 55738830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).