2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide

C16H28N2O3 — CID 131652996

IUPAC2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
SMILESCNC(=O)COC1COC2(CCN(CC3CCC3)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-17-15(19)12-20-14-9-16(21-11-14)5-7-18(8-6-16)10-13-3-2-4-13/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyOZWWMTLRHGOAEF-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.17
Rot. Bonds5

About 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide

2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide (PubChem CID 131652996) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
PubChem CID131652996
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
SMILESCNC(=O)COC1COC2(CCN(CC3CCC3)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-17-15(19)12-20-14-9-16(21-11-14)5-7-18(8-6-16)10-13-3-2-4-13/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyOZWWMTLRHGOAEF-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
N-methyl-2-[[(3R)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487338
2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97394924
N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394260
(3R)-8-(cyclobutylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419083
N-methyl-2-[[(3R)-8-(5-methylpyrazine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97394930
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071044

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The IUPAC name of 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide (CID 131652996) is 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide.
What is the SMILES notation for 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The canonical SMILES for 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide is CNC(=O)COC1COC2(CCN(CC3CCC3)CC2)C1.
What is the InChIKey of 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The InChIKey is OZWWMTLRHGOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17-15(19)12-20-14-9-16(21-11-14)5-7-18(8-6-16)10-13-3-2-4-13/h13-14H,2-12H2,1H3,(H,17,19).
What are the key properties of 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide has a molecular weight of 296.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 131652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).