N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide

C14H18N2O2 — CID 7698887

IUPACN-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
SMILESCCc1ccc(/C=N\OCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-11-3-5-12(6-4-11)9-15-18-10-14(17)16-13-7-8-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,16,17)/b15-9-
InChIKeyPBVLOLJZLVJUAG-DHDCSXOGSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds6

About N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide

N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide (PubChem CID 7698887) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
PubChem CID7698887
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
SMILESCCc1ccc(/C=N\OCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O2/c1-2-11-3-5-12(6-4-11)9-15-18-10-14(17)16-13-7-8-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,16,17)/b15-9-
InChIKeyPBVLOLJZLVJUAG-DHDCSXOGSA-N
XLogP1.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
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'}

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Related Compounds

N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 6905797
2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7699310
methyl 4-[(E)-[2-(4-ethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 42967708
N-[(3-chlorophenyl)methyl]-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7699104
N-(2-chloro-4-methylphenyl)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698913
2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 3896243
methyl 4-[(E)-[2-oxo-2-(4-propylanilino)ethoxy]iminomethyl]benzoate
CID 24581694
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
N-cyclopropyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60909778
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide (CID 7698887) is N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide is CCc1ccc(/C=N\OCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide?
The InChIKey is PBVLOLJZLVJUAG-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-11-3-5-12(6-4-11)9-15-18-10-14(17)16-13-7-8-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,16,17)/b15-9-.
What are the key properties of N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide?
N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7698887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).