2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C21H19N3O2 — CID 9359665

IUPAC2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccccn1
InChIInChI=1S/C21H19N3O2/c25-21(24-23-15-19-11-6-7-13-22-19)16-26-20-12-5-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,24,25)/b23-15-
InChIKeyWGGCQMZXYFVHSZ-HAHDFKILSA-N
MW345.40 g/mol
LogP3.20
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 9359665) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID9359665
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccccn1
InChIInChI=1S/C21H19N3O2/c25-21(24-23-15-19-11-6-7-13-22-19)16-26-20-12-5-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,24,25)/b23-15-
InChIKeyWGGCQMZXYFVHSZ-HAHDFKILSA-N
XLogP3.20
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877
2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 9359716
2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9359679
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 639603
2-(2-benzylphenoxy)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 9359690
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
2-(2-benzylphenoxy)-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]acetamide
CID 9359661
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 7037195
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 9359665) is 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is O=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccccn1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is WGGCQMZXYFVHSZ-HAHDFKILSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(24-23-15-19-11-6-7-13-22-19)16-26-20-12-5-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,24,25)/b23-15-.
What are the key properties of 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 9359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).