2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide

C23H19N3O3 — CID 2392759

IUPAC2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESN#Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c24-14-18-9-11-21(12-10-18)29-17-23(27)26-25-15-20-7-4-8-22(13-20)28-16-19-5-2-1-3-6-19/h1-13,15H,16-17H2,(H,26,27)
InChIKeyZMOJLCMNAWCKCP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.67
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 2392759) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID2392759
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESN#Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c24-14-18-9-11-21(12-10-18)29-17-23(27)26-25-15-20-7-4-8-22(13-20)28-16-19-5-2-1-3-6-19/h1-13,15H,16-17H2,(H,26,27)
InChIKeyZMOJLCMNAWCKCP-UHFFFAOYSA-N
XLogP3.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19660375
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3537489
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992119
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
2-(2,5-dichlorophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3437752
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 2392759) is 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide is N#Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZMOJLCMNAWCKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c24-14-18-9-11-21(12-10-18)29-17-23(27)26-25-15-20-7-4-8-22(13-20)28-16-19-5-2-1-3-6-19/h1-13,15H,16-17H2,(H,26,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 2392759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).