2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide

C16H24N2O3 — CID 77003598

IUPAC2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C16H24N2O3/c1-5-6-12(3)17-16(19)10-21-15-9-11(2)7-8-14(15)13(4)18-20/h7-9,12,20H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyGXVWTNNJTWFXBA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide

2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide (PubChem CID 77003598) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
PubChem CID77003598
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C16H24N2O3/c1-5-6-12(3)17-16(19)10-21-15-9-11(2)7-8-14(15)13(4)18-20/h7-9,12,20H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyGXVWTNNJTWFXBA-UHFFFAOYSA-N
XLogP2.88
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.88
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-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 77003672
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
2-(2-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide (CID 77003598) is 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1cc(C)ccc1C(C)=NO.
What is the InChIKey of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
The InChIKey is GXVWTNNJTWFXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-12(3)17-16(19)10-21-15-9-11(2)7-8-14(15)13(4)18-20/h7-9,12,20H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 77003598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).