2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone

C16H25NO2 — CID 644783

IUPAC2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCOC1
InChIInChI=1S/C16H25NO2/c18-15(17-2-1-3-19-11-17)10-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,1-11H2
InChIKeyIAQFGCYDJGGEQR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds2

About 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone

2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone (PubChem CID 644783) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone
PubChem CID644783
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCCOC1
InChIInChI=1S/C16H25NO2/c18-15(17-2-1-3-19-11-17)10-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,1-11H2
InChIKeyIAQFGCYDJGGEQR-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone?
The IUPAC name of 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone (CID 644783) is 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone is O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCOC1.
What is the InChIKey of 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone?
The InChIKey is IAQFGCYDJGGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(17-2-1-3-19-11-17)10-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,1-11H2.
What are the key properties of 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone?
2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(1,3-oxazinan-3-yl)ethanone is sourced from PubChem (CID 644783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).