N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide

C28H26N4O4 — CID 75083253

IUPACN-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
SMILESC=Cc1cccc(C=NNC(=O)COc2ccc(OCC(=O)NN=Cc3cccc(C=C)c3)cc2)c1
InChIInChI=1S/C28H26N4O4/c1-3-21-7-5-9-23(15-21)17-29-31-27(33)19-35-25-11-13-26(14-12-25)36-20-28(34)32-30-18-24-10-6-8-22(4-2)16-24/h3-18H,1-2,19-20H2,(H,31,33)(H,32,34)
InChIKeyVIMPKXWCLWUSKI-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.03
Rot. Bonds12

About N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide

N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide (PubChem CID 75083253) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
PubChem CID75083253
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
SMILESC=Cc1cccc(C=NNC(=O)COc2ccc(OCC(=O)NN=Cc3cccc(C=C)c3)cc2)c1
InChIInChI=1S/C28H26N4O4/c1-3-21-7-5-9-23(15-21)17-29-31-27(33)19-35-25-11-13-26(14-12-25)36-20-28(34)32-30-18-24-10-6-8-22(4-2)16-24/h3-18H,1-2,19-20H2,(H,31,33)(H,32,34)
InChIKeyVIMPKXWCLWUSKI-UHFFFAOYSA-N
XLogP4.03
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-[4-[2-[(2E)-2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-1-phenylethyl]phenoxy]-N-(methylideneamino)acetamide
CID 172923050
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
The IUPAC name of N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide (CID 75083253) is N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide.
What is the SMILES notation for N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
The canonical SMILES for N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide is C=Cc1cccc(C=NNC(=O)COc2ccc(OCC(=O)NN=Cc3cccc(C=C)c3)cc2)c1.
What is the InChIKey of N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
The InChIKey is VIMPKXWCLWUSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-3-21-7-5-9-23(15-21)17-29-31-27(33)19-35-25-11-13-26(14-12-25)36-20-28(34)32-30-18-24-10-6-8-22(4-2)16-24/h3-18H,1-2,19-20H2,(H,31,33)(H,32,34).
What are the key properties of N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide has a molecular weight of 482.54 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide is sourced from PubChem (CID 75083253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).