2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide

C17H17N3O2 — CID 935509

IUPAC2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1cccnc1
InChIInChI=1S/C17H17N3O2/c1-2-6-15-8-3-4-9-16(15)22-13-17(21)20-19-12-14-7-5-10-18-11-14/h2-5,7-12H,1,6,13H2,(H,20,21)
InChIKeyXXXDGNACGHQADL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.34
Rot. Bonds7

About 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide

2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide (PubChem CID 935509) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
PubChem CID935509
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
SMILESC=CCc1ccccc1OCC(=O)NN=Cc1cccnc1
InChIInChI=1S/C17H17N3O2/c1-2-6-15-8-3-4-9-16(15)22-13-17(21)20-19-12-14-7-5-10-18-11-14/h2-5,7-12H,1,6,13H2,(H,20,21)
InChIKeyXXXDGNACGHQADL-UHFFFAOYSA-N
XLogP2.34
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6111873
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136829892
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3601208
2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 5188168
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3628183
2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 10668794
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide (CID 935509) is 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide is C=CCc1ccccc1OCC(=O)NN=Cc1cccnc1.
What is the InChIKey of 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide?
The InChIKey is XXXDGNACGHQADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-6-15-8-3-4-9-16(15)22-13-17(21)20-19-12-14-7-5-10-18-11-14/h2-5,7-12H,1,6,13H2,(H,20,21).
What are the key properties of 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide?
2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 935509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).