2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide

C17H27NO4 — CID 51103305

IUPAC2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NOC1CCCCO1
InChIInChI=1S/C17H27NO4/c19-14(18-22-15-3-1-2-4-21-15)10-16-6-12-5-13(7-16)9-17(20,8-12)11-16/h12-13,15,20H,1-11H2,(H,18,19)
InChIKeyFOLCIJDLUPNMDU-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide

2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide (PubChem CID 51103305) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide
PubChem CID51103305
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NOC1CCCCO1
InChIInChI=1S/C17H27NO4/c19-14(18-22-15-3-1-2-4-21-15)10-16-6-12-5-13(7-16)9-17(20,8-12)11-16/h12-13,15,20H,1-11H2,(H,18,19)
InChIKeyFOLCIJDLUPNMDU-UHFFFAOYSA-N
XLogP2.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide (CID 51103305) is 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide is O=C(CC12CC3CC(CC(O)(C3)C1)C2)NOC1CCCCO1.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide?
The InChIKey is FOLCIJDLUPNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c19-14(18-22-15-3-1-2-4-21-15)10-16-6-12-5-13(7-16)9-17(20,8-12)11-16/h12-13,15,20H,1-11H2,(H,18,19).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide?
2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-(oxan-2-yloxy)acetamide is sourced from PubChem (CID 51103305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).