N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide

C17H28N4O3 — CID 97395337

IUPACN,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1CO[C@@]2(CCCN(Cc3nccn3C)C2)C1
InChIInChI=1S/C17H28N4O3/c1-19(2)16(22)12-23-14-9-17(24-11-14)5-4-7-21(13-17)10-15-18-6-8-20(15)3/h6,8,14H,4-5,7,9-13H2,1-3H3/t14-,17-/m0/s1
InChIKeyDZNYVLMRRZUDFU-YOEHRIQHSA-N
MW336.44 g/mol
LogP0.65
Rot. Bonds5

About N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide

N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide (PubChem CID 97395337) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
PubChem CID97395337
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1CO[C@@]2(CCCN(Cc3nccn3C)C2)C1
InChIInChI=1S/C17H28N4O3/c1-19(2)16(22)12-23-14-9-17(24-11-14)5-4-7-21(13-17)10-15-18-6-8-20(15)3/h6,8,14H,4-5,7,9-13H2,1-3H3/t14-,17-/m0/s1
InChIKeyDZNYVLMRRZUDFU-YOEHRIQHSA-N
XLogP0.65
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131652566
N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97475107
N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
N,N-dimethyl-2-[[(3R,5S)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide;2,2,2-trifluoroacetic acid
CID 155828495
(3S,5R)-7-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 124520516
2-[[(3R,5R)-7-[(3-fluorophenyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97394293
N-methyl-7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131662354
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97476911
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-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418823

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide (CID 97395337) is N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide is CN(C)C(=O)CO[C@@H]1CO[C@@]2(CCCN(Cc3nccn3C)C2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The InChIKey is DZNYVLMRRZUDFU-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19(2)16(22)12-23-14-9-17(24-11-14)5-4-7-21(13-17)10-15-18-6-8-20(15)3/h6,8,14H,4-5,7,9-13H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide is sourced from PubChem (CID 97395337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).