N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C19H21FN2O4 — CID 7704527

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(CCNC(=O)CO/N=C\c2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-24-17-7-6-14(11-18(17)25-2)8-9-21-19(23)13-26-22-12-15-4-3-5-16(20)10-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,23)/b22-12-
InChIKeyAEMCUOWVCUGCAT-UUYOSTAYSA-N
MW360.39 g/mol
LogP2.55
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704527) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704527
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(CCNC(=O)CO/N=C\c2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-24-17-7-6-14(11-18(17)25-2)8-9-21-19(23)13-26-22-12-15-4-3-5-16(20)10-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,23)/b22-12-
InChIKeyAEMCUOWVCUGCAT-UUYOSTAYSA-N
XLogP2.55
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704591
methyl 4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethoxy]iminomethyl]benzoate
CID 2110077
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089401
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3-fluorophenyl)propyl]guanidine;hydroiodide
CID 111807113
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18206703
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526240
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704527) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is COc1ccc(CCNC(=O)CO/N=C\c2cccc(F)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is AEMCUOWVCUGCAT-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-24-17-7-6-14(11-18(17)25-2)8-9-21-19(23)13-26-22-12-15-4-3-5-16(20)10-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,23)/b22-12-.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 360.39 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).