2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide

C16H23N3O3 — CID 24609674

IUPAC2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H23N3O3/c1-11(19-22-10-15(21)18-16(3,4)5)13-6-8-14(9-7-13)17-12(2)20/h6-9H,10H2,1-5H3,(H,17,20)(H,18,21)/b19-11+
InChIKeyFHZPOPFYHLTCTA-YBFXNURJSA-N
MW305.38 g/mol
LogP2.30
Rot. Bonds5

About 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide (PubChem CID 24609674) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
PubChem CID24609674
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H23N3O3/c1-11(19-22-10-15(21)18-16(3,4)5)13-6-8-14(9-7-13)17-12(2)20/h6-9H,10H2,1-5H3,(H,17,20)(H,18,21)/b19-11+
InChIKeyFHZPOPFYHLTCTA-YBFXNURJSA-N
XLogP2.30
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
CID 24609676
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46698556
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 24609702
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
CID 46698539
2-(4-acetamidoanilino)-N-tert-butylacetamide
CID 28567256
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015926
4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide
CID 43041490
2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
CID 58663104
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
methyl 5-[2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 24609700
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
CID 24609709

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide?
The IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide (CID 24609674) is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide.
What is the SMILES notation for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide?
The canonical SMILES for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide is CC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide?
The InChIKey is FHZPOPFYHLTCTA-YBFXNURJSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(19-22-10-15(21)18-16(3,4)5)13-6-8-14(9-7-13)17-12(2)20/h6-9H,10H2,1-5H3,(H,17,20)(H,18,21)/b19-11+.
What are the key properties of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide?
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide has a molecular weight of 305.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide is sourced from PubChem (CID 24609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).