2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide

C17H15N3O2 — CID 766684

IUPAC2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-13(14-7-3-2-4-8-14)19-20-17(21)12-22-16-10-6-5-9-15(16)11-18/h2-10H,12H2,1H3,(H,20,21)
InChIKeyFPOLNLNRBDWNEW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide

2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide (PubChem CID 766684) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
PubChem CID766684
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-13(14-7-3-2-4-8-14)19-20-17(21)12-22-16-10-6-5-9-15(16)11-18/h2-10H,12H2,1H3,(H,20,21)
InChIKeyFPOLNLNRBDWNEW-UHFFFAOYSA-N
XLogP2.48
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.48
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-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 9467669
2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135680240
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]acetamide
CID 9467525
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide
CID 135571814

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide (CID 766684) is 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide is CC(=NNC(=O)COc1ccccc1C#N)c1ccccc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide?
The InChIKey is FPOLNLNRBDWNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13(14-7-3-2-4-8-14)19-20-17(21)12-22-16-10-6-5-9-15(16)11-18/h2-10H,12H2,1H3,(H,20,21).
What are the key properties of 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide?
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide is sourced from PubChem (CID 766684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).