3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C29H26N2O4 — CID 17134455

IUPAC3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C29H26N2O4/c32-28(21-35-27-17-8-7-16-26(27)23-12-5-2-6-13-23)30-31-29(33)24-14-9-15-25(20-24)34-19-18-22-10-3-1-4-11-22/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33)
InChIKeyKVHTVBLKKFAGMW-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.82
Rot. Bonds9

About 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 17134455) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID17134455
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C29H26N2O4/c32-28(21-35-27-17-8-7-16-26(27)23-12-5-2-6-13-23)30-31-29(33)24-14-9-15-25(20-24)34-19-18-22-10-3-1-4-11-22/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33)
InChIKeyKVHTVBLKKFAGMW-UHFFFAOYSA-N
XLogP4.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.82
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-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134531
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134798
3-phenylpropyl 4-oxo-4-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butanoate
CID 4934424
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 17134455) is 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is KVHTVBLKKFAGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c32-28(21-35-27-17-8-7-16-26(27)23-12-5-2-6-13-23)30-31-29(33)24-14-9-15-25(20-24)34-19-18-22-10-3-1-4-11-22/h1-17,20H,18-19,21H2,(H,30,32)(H,31,33).
What are the key properties of 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 466.54 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17134455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).