1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one

C17H23NO3 — CID 35371146

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-16(2,14-6-4-3-5-7-14)15(19)18-10-8-17(9-11-18)20-12-13-21-17/h3-7H,8-13H2,1-2H3
InChIKeyDDPBYJIQLBKTMU-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.33
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 35371146) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID35371146
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-16(2,14-6-4-3-5-7-14)15(19)18-10-8-17(9-11-18)20-12-13-21-17/h3-7H,8-13H2,1-2H3
InChIKeyDDPBYJIQLBKTMU-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2,3-diphenylpropan-1-one
CID 110299392
1-(3,3-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 75372374
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108965177
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(1-phenylethyl)propanamide
CID 108962125
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 75402758
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
CID 78989187
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108965186
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one (CID 35371146) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is DDPBYJIQLBKTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-16(2,14-6-4-3-5-7-14)15(19)18-10-8-17(9-11-18)20-12-13-21-17/h3-7H,8-13H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 289.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 35371146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).