2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone

C17H23NO3 — CID 56870516

IUPAC2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone
SMILESCOC(C(=O)N1CCC2(CCCO2)CC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-20-15(14-6-3-2-4-7-14)16(19)18-11-9-17(10-12-18)8-5-13-21-17/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyLRNKXYQHBKMSDY-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.55
Rot. Bonds3

About 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone

2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone (PubChem CID 56870516) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone
PubChem CID56870516
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone
SMILESCOC(C(=O)N1CCC2(CCCO2)CC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-20-15(14-6-3-2-4-7-14)16(19)18-11-9-17(10-12-18)8-5-13-21-17/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyLRNKXYQHBKMSDY-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone?
The IUPAC name of 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone (CID 56870516) is 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone.
What is the SMILES notation for 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone?
The canonical SMILES for 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone is COC(C(=O)N1CCC2(CCCO2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone?
The InChIKey is LRNKXYQHBKMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15(14-6-3-2-4-7-14)16(19)18-11-9-17(10-12-18)8-5-13-21-17/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone?
2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone has a molecular weight of 289.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-phenylethanone is sourced from PubChem (CID 56870516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).