N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

C18H24N2O4 — CID 97394281

IUPACN-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)CO[C@H]1CO[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O4/c1-19-16(21)12-23-15-10-18(24-11-15)7-8-20(13-18)17(22)9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,21)/t15-,18-/m1/s1
InChIKeyHMUBERFDXHCFPX-CRAIPNDOSA-N
MW332.40 g/mol
LogP0.75
Rot. Bonds5

About N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (PubChem CID 97394281) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
PubChem CID97394281
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)CO[C@H]1CO[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O4/c1-19-16(21)12-23-15-10-18(24-11-15)7-8-20(13-18)17(22)9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,21)/t15-,18-/m1/s1
InChIKeyHMUBERFDXHCFPX-CRAIPNDOSA-N
XLogP0.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394324
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333
N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394260
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 134078949
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071044
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-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
CID 118745149
1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 134073999
2-(1,3-benzodioxol-5-yl)-1-[(3S,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97419807
1-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-thiophen-2-ylethanone
CID 97420030

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (CID 97394281) is N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is CNC(=O)CO[C@H]1CO[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1.
What is the InChIKey of N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The InChIKey is HMUBERFDXHCFPX-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-16(21)12-23-15-10-18(24-11-15)7-8-20(13-18)17(22)9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,21)/t15-,18-/m1/s1.
What are the key properties of N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide has a molecular weight of 332.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is sourced from PubChem (CID 97394281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).