4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide

C26H28N2O5 — CID 4952843

IUPAC4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O5/c1-19(2)20-8-12-24(13-9-20)33-18-25(29)27-28-26(30)21-10-14-23(15-11-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,19H,16-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIPNKWBRPLXJQQS-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.11
Rot. Bonds10

About 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide

4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 4952843) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID4952843
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O5/c1-19(2)20-8-12-24(13-9-20)33-18-25(29)27-28-26(30)21-10-14-23(15-11-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,19H,16-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIPNKWBRPLXJQQS-UHFFFAOYSA-N
XLogP4.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.11
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

3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 4952843) is 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide is CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is IPNKWBRPLXJQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-19(2)20-8-12-24(13-9-20)33-18-25(29)27-28-26(30)21-10-14-23(15-11-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,19H,16-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide?
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 448.52 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4952843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).