2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide

C17H25N3O3 — CID 24609676

IUPAC2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)9-10-18-17(22)11-23-20-13(3)15-5-7-16(8-6-15)19-14(4)21/h5-8,12H,9-11H2,1-4H3,(H,18,22)(H,19,21)/b20-13+
InChIKeyHBUMYUJGQDRQGG-DEDYPNTBSA-N
MW319.41 g/mol
LogP2.55
Rot. Bonds8

About 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide (PubChem CID 24609676) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
PubChem CID24609676
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)9-10-18-17(22)11-23-20-13(3)15-5-7-16(8-6-15)19-14(4)21/h5-8,12H,9-11H2,1-4H3,(H,18,22)(H,19,21)/b20-13+
InChIKeyHBUMYUJGQDRQGG-DEDYPNTBSA-N
XLogP2.55
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.55
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-tert-butylacetamide
CID 24609674
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46698556
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
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
CID 24609709
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-acetamidobenzoate
CID 9016157
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
CID 108951809
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139952

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide (CID 24609676) is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide is CC(=O)Nc1ccc(/C(C)=N/OCC(=O)NCCC(C)C)cc1.
What is the InChIKey of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide?
The InChIKey is HBUMYUJGQDRQGG-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)9-10-18-17(22)11-23-20-13(3)15-5-7-16(8-6-15)19-14(4)21/h5-8,12H,9-11H2,1-4H3,(H,18,22)(H,19,21)/b20-13+.
What are the key properties of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide?
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 2.55, 8 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 24609676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).