2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide

C20H23N3O4 — CID 24609709

IUPAC2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)O/N=C(\C)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-13(16-5-7-17(8-6-16)21-15(3)24)23-27-14(2)20(25)22-18-9-11-19(26-4)12-10-18/h5-12,14H,1-4H3,(H,21,24)(H,22,25)/b23-13+
InChIKeyAPKNKFZKFUEGJZ-YDZHTSKRSA-N
MW369.42 g/mol
LogP3.42
Rot. Bonds7

About 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide (PubChem CID 24609709) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
PubChem CID24609709
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)O/N=C(\C)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-13(16-5-7-17(8-6-16)21-15(3)24)23-27-14(2)20(25)22-18-9-11-19(26-4)12-10-18/h5-12,14H,1-4H3,(H,21,24)(H,22,25)/b23-13+
InChIKeyAPKNKFZKFUEGJZ-YDZHTSKRSA-N
XLogP3.42
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
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

(2S)-2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methoxyphenyl)propanamide
CID 7240366
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72691924
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 43015349
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide
CID 43041490
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 41323985
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 2365218
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
CID 24609676

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide (CID 24609709) is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)O/N=C(\C)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide?
The InChIKey is APKNKFZKFUEGJZ-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(16-5-7-17(8-6-16)21-15(3)24)23-27-14(2)20(25)22-18-9-11-19(26-4)12-10-18/h5-12,14H,1-4H3,(H,21,24)(H,22,25)/b23-13+.
What are the key properties of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide?
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide has a molecular weight of 369.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 24609709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).