1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one

C23H36N2O2 — CID 118662087

IUPAC1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C23H36N2O2/c1-21(2,27-5)17-20(26)25-16-15-22(18-25)11-13-23(14-12-22,24(3)4)19-9-7-6-8-10-19/h6-10H,11-18H2,1-5H3
InChIKeyUZRFOARCOLZIGG-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.05
Rot. Bonds5

About 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one (PubChem CID 118662087) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
PubChem CID118662087
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C23H36N2O2/c1-21(2,27-5)17-20(26)25-16-15-22(18-25)11-13-23(14-12-22,24(3)4)19-9-7-6-8-10-19/h6-10H,11-18H2,1-5H3
InChIKeyUZRFOARCOLZIGG-UHFFFAOYSA-N
XLogP4.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662277
3-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 118662153
2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
CID 118662045
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
CID 118662319
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662447
1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone
CID 118666504
1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662068
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118666001
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one (CID 118662087) is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?
The InChIKey is UZRFOARCOLZIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-21(2,27-5)17-20(26)25-16-15-22(18-25)11-13-23(14-12-22,24(3)4)19-9-7-6-8-10-19/h6-10H,11-18H2,1-5H3.
What are the key properties of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one has a molecular weight of 372.55 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 118662087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).