N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide

C25H26N2O5 — CID 4955139

IUPACN'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O5/c1-2-19-11-13-22(14-12-19)32-18-24(28)26-27-25(29)20-7-6-10-23(17-20)31-16-15-30-21-8-4-3-5-9-21/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyJJANDVRZELKKLL-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.55
Rot. Bonds10

About N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide

N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide (PubChem CID 4955139) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
PubChem CID4955139
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O5/c1-2-19-11-13-22(14-12-19)32-18-24(28)26-27-25(29)20-7-6-10-23(17-20)31-16-15-30-21-8-4-3-5-9-21/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyJJANDVRZELKKLL-UHFFFAOYSA-N
XLogP3.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.55
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

N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982146
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide (CID 4955139) is N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is JJANDVRZELKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-2-19-11-13-22(14-12-19)32-18-24(28)26-27-25(29)20-7-6-10-23(17-20)31-16-15-30-21-8-4-3-5-9-21/h3-14,17H,2,15-16,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 434.49 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 4955139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).