2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide

C24H25N3O4 — CID 3301238

IUPAC2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNNC(=O)COc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O4/c1-30-21-13-11-20(12-14-21)26-23(28)16-25-27-24(29)17-31-22-10-6-5-9-19(22)15-18-7-3-2-4-8-18/h2-14,25H,15-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyYEBBQXJEBRWLOZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.92
Rot. Bonds10

About 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide

2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3301238) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
PubChem CID3301238
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNNC(=O)COc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O4/c1-30-21-13-11-20(12-14-21)26-23(28)16-25-27-24(29)17-31-22-10-6-5-9-19(22)15-18-7-3-2-4-8-18/h2-14,25H,15-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyYEBBQXJEBRWLOZ-UHFFFAOYSA-N
XLogP2.92
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide (CID 3301238) is 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNNC(=O)COc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YEBBQXJEBRWLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-21-13-11-20(12-14-21)26-23(28)16-25-27-24(29)17-31-22-10-6-5-9-19(22)15-18-7-3-2-4-8-18/h2-14,25H,15-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3301238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).