2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide

C19H19N3O2 — CID 9316462

IUPAC2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(/C(C)=N\NC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-15-4-8-17(9-5-15)14(2)21-22-19(23)13-24-18-10-6-16(12-20)7-11-18/h4-11H,3,13H2,1-2H3,(H,22,23)/b21-14-
InChIKeyOOABRHHJZJCVRU-STZFKDTASA-N
MW321.38 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide (PubChem CID 9316462) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
PubChem CID9316462
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(/C(C)=N\NC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-15-4-8-17(9-5-15)14(2)21-22-19(23)13-24-18-10-6-16(12-20)7-11-18/h4-11H,3,13H2,1-2H3,(H,22,23)/b21-14-
InChIKeyOOABRHHJZJCVRU-STZFKDTASA-N
XLogP3.04
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.04
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-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-[1-(4-ethylphenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3954033
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 9316629
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide (CID 9316462) is 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide is CCc1ccc(/C(C)=N\NC(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The InChIKey is OOABRHHJZJCVRU-STZFKDTASA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-15-4-8-17(9-5-15)14(2)21-22-19(23)13-24-18-10-6-16(12-20)7-11-18/h4-11H,3,13H2,1-2H3,(H,22,23)/b21-14-.
What are the key properties of 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9316462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).