2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide

C21H26N2O3 — CID 124982967

IUPAC2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
SMILESCO[C@H]1CCN(CC(=O)Nc2cccc3ccccc23)C[C@@]12CCCO2
InChIInChI=1S/C21H26N2O3/c1-25-19-10-12-23(15-21(19)11-5-13-26-21)14-20(24)22-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9,19H,5,10-15H2,1H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyNASNGXLMIMXCFF-FPOVZHCZSA-N
MW354.45 g/mol
LogP3.05
Rot. Bonds4

About 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide

2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide (PubChem CID 124982967) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
PubChem CID124982967
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
SMILESCO[C@H]1CCN(CC(=O)Nc2cccc3ccccc23)C[C@@]12CCCO2
InChIInChI=1S/C21H26N2O3/c1-25-19-10-12-23(15-21(19)11-5-13-26-21)14-20(24)22-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9,19H,5,10-15H2,1H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyNASNGXLMIMXCFF-FPOVZHCZSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129455060
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 124939739
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 124977738
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide
CID 110167208
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 175656938
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125003317

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide (CID 124982967) is 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide is CO[C@H]1CCN(CC(=O)Nc2cccc3ccccc23)C[C@@]12CCCO2.
What is the InChIKey of 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is NASNGXLMIMXCFF-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-10-12-23(15-21(19)11-5-13-26-21)14-20(24)22-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9,19H,5,10-15H2,1H3,(H,22,24)/t19-,21-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide?
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 124982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).