2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C17H27NO3 — CID 81196297

IUPAC2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO3/c1-10-9-21-15(8-19)7-18(10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16,19H,2-9H2,1H3
InChIKeyOJWYBCIWDMWGSV-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.67
Rot. Bonds2

About 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81196297) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81196297
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO3/c1-10-9-21-15(8-19)7-18(10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16,19H,2-9H2,1H3
InChIKeyOJWYBCIWDMWGSV-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81196297) is 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is OJWYBCIWDMWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-10-9-21-15(8-19)7-18(10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16,19H,2-9H2,1H3.
What are the key properties of 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 293.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81196297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).