2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H24N2O3 — CID 77003672

IUPAC2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(=NO)c1ccc(C)cc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)12(4)17-16(19)9-21-15-8-11(3)6-7-14(15)13(5)18-20/h6-8,10,12,20H,9H2,1-5H3,(H,17,19)
InChIKeyOUDLQSQLNBCPRM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 77003672) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID77003672
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(=NO)c1ccc(C)cc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)12(4)17-16(19)9-21-15-8-11(3)6-7-14(15)13(5)18-20/h6-8,10,12,20H,9H2,1-5H3,(H,17,19)
InChIKeyOUDLQSQLNBCPRM-UHFFFAOYSA-N
XLogP2.73
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
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-2-ylacetamide
CID 77003598
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63651171
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82914156
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
4-amino-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 106954921

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 77003672) is 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide is CC(=NO)c1ccc(C)cc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is OUDLQSQLNBCPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)12(4)17-16(19)9-21-15-8-11(3)6-7-14(15)13(5)18-20/h6-8,10,12,20H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.73, 6 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 77003672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).