2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide

C17H26N4O4 — CID 97418823

IUPAC2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
SMILESCOc1cc(N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)ncn1
InChIInChI=1S/C17H26N4O4/c1-20(2)16(22)11-24-13-9-17(25-10-13)4-6-21(7-5-17)14-8-15(23-3)19-12-18-14/h8,12-13H,4-7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyKYZCKUCCKIHBEO-CYBMUJFWSA-N
MW350.42 g/mol
LogP0.72
Rot. Bonds5

About 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide

2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide (PubChem CID 97418823) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
PubChem CID97418823
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
SMILESCOc1cc(N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)ncn1
InChIInChI=1S/C17H26N4O4/c1-20(2)16(22)11-24-13-9-17(25-10-13)4-6-21(7-5-17)14-8-15(23-3)19-12-18-14/h8,12-13H,4-7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyKYZCKUCCKIHBEO-CYBMUJFWSA-N
XLogP0.72
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97476911
2-[[2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 131662846
2-[[(8R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124819708
N,N-dimethyl-2-[[8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663924
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
N,N-dimethyl-2-[[8-(5-methylfuran-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 155876388
N,N-dimethyl-2-[[8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663033
(3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450633
2-[[8-[(4-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155824417
2-[[(3R,5R)-7-[(3-fluorophenyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97394293
N,N-dimethyl-2-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155847565

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide (CID 97418823) is 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide is COc1cc(N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)ncn1.
What is the InChIKey of 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is KYZCKUCCKIHBEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-20(2)16(22)11-24-13-9-17(25-10-13)4-6-21(7-5-17)14-8-15(23-3)19-12-18-14/h8,12-13H,4-7,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide?
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 350.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97418823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).