2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one

C18H23NO3 — CID 101492826

IUPAC2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one
SMILESCC1(C)OC2(CCCCC2)N(C(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C18H23NO3/c1-17(2)16(21)19(18(22-17)11-7-4-8-12-18)15(20)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyRSGAXQNJHVTKJJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.05
Rot. Bonds2

About 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one

2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one (PubChem CID 101492826) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one
PubChem CID101492826
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one
SMILESCC1(C)OC2(CCCCC2)N(C(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C18H23NO3/c1-17(2)16(21)19(18(22-17)11-7-4-8-12-18)15(20)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyRSGAXQNJHVTKJJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
N-(2-methoxyethyl)-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955880
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-2-phenylethanone
CID 110740541
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 81102981
1-oxaspiro[4.5]decane;2-phenylacetamide
CID 21117982
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one (CID 101492826) is 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one is CC1(C)OC2(CCCCC2)N(C(=O)Cc2ccccc2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one?
The InChIKey is RSGAXQNJHVTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-17(2)16(21)19(18(22-17)11-7-4-8-12-18)15(20)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one?
2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one has a molecular weight of 301.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 101492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).