2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide

C18H20N2O2 — CID 4922542

IUPAC2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-2-15-8-10-17(11-9-15)22-14-18(21)20-19-13-12-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3,(H,20,21)
InChIKeyRRKDSBBQGNXUKE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide

2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide (PubChem CID 4922542) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
PubChem CID4922542
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=CCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-2-15-8-10-17(11-9-15)22-14-18(21)20-19-13-12-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3,(H,20,21)
InChIKeyRRKDSBBQGNXUKE-UHFFFAOYSA-N
XLogP2.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-oxo-2-[2-(2-phenylethylidene)hydrazinyl]ethoxy]benzoate
CID 4932439
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922546
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 6231205
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922259
2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
CID 4633762

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide (CID 4922542) is 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide is CCc1ccc(OCC(=O)NN=CCc2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
The InChIKey is RRKDSBBQGNXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-15-8-10-17(11-9-15)22-14-18(21)20-19-13-12-16-6-4-3-5-7-16/h3-11,13H,2,12,14H2,1H3,(H,20,21).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide is sourced from PubChem (CID 4922542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).