2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide

C16H24N2O3 — CID 77003482

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

About 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide

2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide (PubChem CID 77003482) 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-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
PubChem CID77003482
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cc(C)ccc1C(C)=NO
InChIInChI=1S/C16H24N2O3/c1-5-13(6-2)17-16(19)10-21-15-9-11(3)7-8-14(15)12(4)18-20/h7-9,13,20H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyKIJSPUOCSUEXBQ-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'}

Analyze 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3-methylbutan-2-yl)acetamide
CID 77003672
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide (CID 77003482) is 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cc(C)ccc1C(C)=NO.
What is the InChIKey of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide?
The InChIKey is KIJSPUOCSUEXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-13(6-2)17-16(19)10-21-15-9-11(3)7-8-14(15)12(4)18-20/h7-9,13,20H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide?
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-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-3-ylacetamide is sourced from PubChem (CID 77003482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).