[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C24H36N2O2 — CID 118662277

IUPAC[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)CCC1
InChIInChI=1S/C24H36N2O2/c1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)16-17-26(18-22)21(27)23(19-28-3)10-7-11-23/h4-6,8-9H,7,10-19H2,1-3H3
InChIKeyLQBYWYXZUYVHAU-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.05
Rot. Bonds5

About [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 118662277) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID118662277
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)CCC1
InChIInChI=1S/C24H36N2O2/c1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)16-17-26(18-22)21(27)23(19-28-3)10-7-11-23/h4-6,8-9H,7,10-19H2,1-3H3
InChIKeyLQBYWYXZUYVHAU-UHFFFAOYSA-N
XLogP4.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
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]-3-methoxy-3-methylbutan-1-one
CID 118662087
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
CID 118662319
3-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 118662153
2-azaspiro[4.5]decan-2-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120636328
[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
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74245884
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 122109200
2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
CID 118662045
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 56895864

Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 118662277) is [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)CCC1.
What is the InChIKey of [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is LQBYWYXZUYVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)16-17-26(18-22)21(27)23(19-28-3)10-7-11-23/h4-6,8-9H,7,10-19H2,1-3H3.
What are the key properties of [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 384.56 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 [8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 118662277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).