2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide

C32H30N4O5 — CID 171157296

IUPAC2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(COCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H30N4O5/c37-31(35-33-19-25-11-15-29(16-12-25)40-21-27-7-3-1-4-8-27)23-39-24-32(38)36-34-20-26-13-17-30(18-14-26)41-22-28-9-5-2-6-10-28/h1-20H,21-24H2,(H,35,37)(H,36,38)
InChIKeyYKWPFAMNCUFWFJ-UHFFFAOYSA-N
MW550.62 g/mol
LogP4.46
Rot. Bonds14

About 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide

2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 171157296) has the molecular formula C32H30N4O5 and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID171157296
Molecular FormulaC32H30N4O5
Molecular Weight550.62 g/mol
Exact Mass550.22
IUPAC Name2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(COCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H30N4O5/c37-31(35-33-19-25-11-15-29(16-12-25)40-21-27-7-3-1-4-8-27)23-39-24-32(38)36-34-20-26-13-17-30(18-14-26)41-22-28-9-5-2-6-10-28/h1-20H,21-24H2,(H,35,37)(H,36,38)
InChIKeyYKWPFAMNCUFWFJ-UHFFFAOYSA-N
XLogP4.46
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6086034

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 171157296) is 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(COCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is YKWPFAMNCUFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O5/c37-31(35-33-19-25-11-15-29(16-12-25)40-21-27-7-3-1-4-8-27)23-39-24-32(38)36-34-20-26-13-17-30(18-14-26)41-22-28-9-5-2-6-10-28/h1-20H,21-24H2,(H,35,37)(H,36,38).
What are the key properties of 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 550.62 g/mol, XLogP of 4.46, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 171157296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).