3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

C21H33NO4 — CID 3893138

IUPAC3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1(O)N(CCOC23CC4CC(CC(C4)C2)C3)C(=O)OC12CCCCC2
InChIInChI=1S/C21H33NO4/c1-19(24)21(5-3-2-4-6-21)26-18(23)22(19)7-8-25-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17,24H,2-14H2,1H3
InChIKeyDXXPEHZILJMGLF-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.84
Rot. Bonds4

About 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 3893138) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID3893138
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1(O)N(CCOC23CC4CC(CC(C4)C2)C3)C(=O)OC12CCCCC2
InChIInChI=1S/C21H33NO4/c1-19(24)21(5-3-2-4-6-21)26-18(23)22(19)7-8-25-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17,24H,2-14H2,1H3
InChIKeyDXXPEHZILJMGLF-UHFFFAOYSA-N
XLogP3.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 3893138) is 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1(O)N(CCOC23CC4CC(CC(C4)C2)C3)C(=O)OC12CCCCC2.
What is the InChIKey of 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is DXXPEHZILJMGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-19(24)21(5-3-2-4-6-21)26-18(23)22(19)7-8-25-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17,24H,2-14H2,1H3.
What are the key properties of 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 363.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 3893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).