1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone

C18H25NO5 — CID 110156841

IUPAC1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1
InChIInChI=1S/C18H25NO5/c1-21-14-4-6-15(7-5-14)23-13-17(20)19-10-9-18(8-3-11-24-18)16(12-19)22-2/h4-7,16H,3,8-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyOGSYARWGAVOAKI-WMZOPIPTSA-N
MW335.40 g/mol
LogP1.87
Rot. Bonds5

About 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone

1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 110156841) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID110156841
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1
InChIInChI=1S/C18H25NO5/c1-21-14-4-6-15(7-5-14)23-13-17(20)19-10-9-18(8-3-11-24-18)16(12-19)22-2/h4-7,16H,3,8-13H2,1-2H3/t16-,18-/m0/s1
InChIKeyOGSYARWGAVOAKI-WMZOPIPTSA-N
XLogP1.87
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110156509
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156409
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
[3-(3-aminopropoxy)phenyl]-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159866
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024152
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024153
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156686
2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 110156101
1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
CID 110159725
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110156464
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyphenyl)methanone
CID 124965720

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone (CID 110156841) is 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1.
What is the InChIKey of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is OGSYARWGAVOAKI-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H25NO5/c1-21-14-4-6-15(7-5-14)23-13-17(20)19-10-9-18(8-3-11-24-18)16(12-19)22-2/h4-7,16H,3,8-13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone?
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 335.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 110156841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).