2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide

C19H21FN2O3 — CID 24511868

IUPAC2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCOc1ccc(/C=N/OC(C)C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-4-24-17-9-6-15(7-10-17)12-21-25-14(3)19(23)22-16-8-5-13(2)18(20)11-16/h5-12,14H,4H2,1-3H3,(H,22,23)/b21-12+
InChIKeyGNDWYKIMMJFTGY-CIAFOILYSA-N
MW344.39 g/mol
LogP3.91
Rot. Bonds7

About 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide

2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 24511868) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID24511868
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCOc1ccc(/C=N/OC(C)C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-4-24-17-9-6-15(7-10-17)12-21-25-14(3)19(23)22-16-8-5-13(2)18(20)11-16/h5-12,14H,4H2,1-3H3,(H,22,23)/b21-12+
InChIKeyGNDWYKIMMJFTGY-CIAFOILYSA-N
XLogP3.91
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.91
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'}

Analyze 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide 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

(2S)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 129420682
(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 129449168
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 8740205
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 8733614
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953261
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
2-(2-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511443
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619042
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7699307

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide (CID 24511868) is 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide is CCOc1ccc(/C=N/OC(C)C(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is GNDWYKIMMJFTGY-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-4-24-17-9-6-15(7-10-17)12-21-25-14(3)19(23)22-16-8-5-13(2)18(20)11-16/h5-12,14H,4H2,1-3H3,(H,22,23)/b21-12+.
What are the key properties of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide?
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 344.39 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 24511868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).