2-(1-adamantyl)-N-hydroxyacetamide

C12H19NO2 — CID 2771140

IUPAC2-(1-adamantyl)-N-hydroxyacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NO
InChIInChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)
InChIKeyJKZCKUGJZBWOQO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.10
Rot. Bonds2

About 2-(1-adamantyl)-N-hydroxyacetamide

2-(1-adamantyl)-N-hydroxyacetamide (PubChem CID 2771140) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-hydroxyacetamide
PubChem CID2771140
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(1-adamantyl)-N-hydroxyacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NO
InChIInChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)
InChIKeyJKZCKUGJZBWOQO-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-hydroxyacetamide?
The IUPAC name of 2-(1-adamantyl)-N-hydroxyacetamide (CID 2771140) is 2-(1-adamantyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-hydroxyacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NO.
What is the InChIKey of 2-(1-adamantyl)-N-hydroxyacetamide?
The InChIKey is JKZCKUGJZBWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14).
What are the key properties of 2-(1-adamantyl)-N-hydroxyacetamide?
2-(1-adamantyl)-N-hydroxyacetamide has a molecular weight of 209.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-hydroxyacetamide is sourced from PubChem (CID 2771140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).