2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide

C24H25N3O3 — CID 24609702

IUPAC2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25N3O3/c1-16(21-9-8-20-6-4-5-7-22(20)14-21)25-24(29)15-30-27-17(2)19-10-12-23(13-11-19)26-18(3)28/h4-14,16H,15H2,1-3H3,(H,25,29)(H,26,28)/b27-17+
InChIKeyXMXYBFCHRLHDFD-WPWMEQJKSA-N
MW403.48 g/mol
LogP4.42
Rot. Bonds7

About 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 24609702) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID24609702
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25N3O3/c1-16(21-9-8-20-6-4-5-7-22(20)14-21)25-24(29)15-30-27-17(2)19-10-12-23(13-11-19)26-18(3)28/h4-14,16H,15H2,1-3H3,(H,25,29)(H,26,28)/b27-17+
InChIKeyXMXYBFCHRLHDFD-WPWMEQJKSA-N
XLogP4.42
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.42
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-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
CID 24609676
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 95181203
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide (CID 24609702) is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide is CC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is XMXYBFCHRLHDFD-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(21-9-8-20-6-4-5-7-22(20)14-21)25-24(29)15-30-27-17(2)19-10-12-23(13-11-19)26-18(3)28/h4-14,16H,15H2,1-3H3,(H,25,29)(H,26,28)/b27-17+.
What are the key properties of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide?
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.42, 7 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-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 24609702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).