N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide

C13H15NO3 — CID 82766739

IUPACN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C13H15NO3/c1-10-5-6-11(4-3-7-15)12(8-10)14-13(16)9-17-2/h5-6,8,15H,7,9H2,1-2H3,(H,14,16)
InChIKeyGMPLTNWCSPOAPY-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.92
Rot. Bonds3

About N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide (PubChem CID 82766739) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
PubChem CID82766739
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C13H15NO3/c1-10-5-6-11(4-3-7-15)12(8-10)14-13(16)9-17-2/h5-6,8,15H,7,9H2,1-2H3,(H,14,16)
InChIKeyGMPLTNWCSPOAPY-UHFFFAOYSA-N
XLogP0.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209924
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021924
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
CID 82766895
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
CID 65432741
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclobutanecarboxamide
CID 82767269
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide (CID 82766739) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide is COCC(=O)Nc1cc(C)ccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide?
The InChIKey is GMPLTNWCSPOAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10-5-6-11(4-3-7-15)12(8-10)14-13(16)9-17-2/h5-6,8,15H,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide has a molecular weight of 233.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide is sourced from PubChem (CID 82766739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).