2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide

C23H30N2O3 — CID 19190683

IUPAC2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-7-16-27-21-14-10-20(11-15-21)17-24-25-23(26)18-28-22-12-8-19(4-2)9-13-22/h8-15,17H,3-7,16,18H2,1-2H3,(H,25,26)/b24-17+
InChIKeyBFKQHSYOFYFLIA-JJIBRWJFSA-N
MW382.50 g/mol
LogP4.74
Rot. Bonds12

About 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide

2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide (PubChem CID 19190683) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
PubChem CID19190683
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-7-16-27-21-14-10-20(11-15-21)17-24-25-23(26)18-28-22-12-8-19(4-2)9-13-22/h8-15,17H,3-7,16,18H2,1-2H3,(H,25,26)/b24-17+
InChIKeyBFKQHSYOFYFLIA-JJIBRWJFSA-N
XLogP4.74
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]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

2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide (CID 19190683) is 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide is CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CC)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
The InChIKey is BFKQHSYOFYFLIA-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-5-6-7-16-27-21-14-10-20(11-15-21)17-24-25-23(26)18-28-22-12-8-19(4-2)9-13-22/h8-15,17H,3-7,16,18H2,1-2H3,(H,25,26)/b24-17+.
What are the key properties of 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide?
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).