1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone

C19H27NO3 — CID 118741002

IUPAC1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCOCCC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H27NO3/c1-22-12-7-17-14-19(23-15-17)8-10-20(11-9-19)18(21)13-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeySIPLNHCZKKMYDH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone

1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone (PubChem CID 118741002) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
PubChem CID118741002
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCOCCC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H27NO3/c1-22-12-7-17-14-19(23-15-17)8-10-20(11-9-19)18(21)13-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeySIPLNHCZKKMYDH-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone (CID 118741002) is 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone is COCCC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
The InChIKey is SIPLNHCZKKMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-22-12-7-17-14-19(23-15-17)8-10-20(11-9-19)18(21)13-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone?
1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone has a molecular weight of 317.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone is sourced from PubChem (CID 118741002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).