2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide

C17H18N2O3 — CID 24694563

IUPAC2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESC/C(=N\O)c1ccccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3/c1-12-7-9-14(10-8-12)18-17(20)11-22-16-6-4-3-5-15(16)13(2)19-21/h3-10,21H,11H2,1-2H3,(H,18,20)/b19-13+
InChIKeyXNDPTEHIYVYGMS-CPNJWEJPSA-N
MW298.34 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 24694563) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID24694563
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESC/C(=N\O)c1ccccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3/c1-12-7-9-14(10-8-12)18-17(20)11-22-16-6-4-3-5-15(16)13(2)19-21/h3-10,21H,11H2,1-2H3,(H,18,20)/b19-13+
InChIKeyXNDPTEHIYVYGMS-CPNJWEJPSA-N
XLogP3.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-(2-acetylphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 165365413
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 24694563) is 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide is C/C(=N\O)c1ccccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is XNDPTEHIYVYGMS-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-7-9-14(10-8-12)18-17(20)11-22-16-6-4-3-5-15(16)13(2)19-21/h3-10,21H,11H2,1-2H3,(H,18,20)/b19-13+.
What are the key properties of 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 24694563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).