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

C23H34N2O — CID 118662460

IUPAC2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1
InChIInChI=1S/C23H34N2O/c1-24(2)23(20-9-4-3-5-10-20)13-11-22(12-14-23)15-16-25(18-22)21(26)17-19-7-6-8-19/h3-5,9-10,19H,6-8,11-18H2,1-2H3
InChIKeyWKYUBQRUXDYGNX-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.43
Rot. Bonds4

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

2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 118662460) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID118662460
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1
InChIInChI=1S/C23H34N2O/c1-24(2)23(20-9-4-3-5-10-20)13-11-22(12-14-23)15-16-25(18-22)21(26)17-19-7-6-8-19/h3-5,9-10,19H,6-8,11-18H2,1-2H3
InChIKeyWKYUBQRUXDYGNX-UHFFFAOYSA-N
XLogP4.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[8-(Dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
CID 118662189
Spiro-carboxamide scaffold, 12
CID 44143298
3-cyclopentyl-N-[4-(dimethylamino)-4-phenylcyclohexyl]propanamide;hydrochloride
CID 118711484
1-Benzyl-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 3727246
Rac-8-[1-(2-methyl-propenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11245541
4-Phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11463791
N-ethyl-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-methylcyclobutane-1-carboxamide
CID 16119587
8-(1-Phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414717
Rac-8-(1-phenyl-cyclohexyl)-4-p-tolyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414777
Rac-8-[1-(4-fluoro-phenyl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414876
8-Dimethylamino-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662014
8-Benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
CID 118662129

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone (CID 118662460) is 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone is CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1.
What is the InChIKey of 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is WKYUBQRUXDYGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-24(2)23(20-9-4-3-5-10-20)13-11-22(12-14-23)15-16-25(18-22)21(26)17-19-7-6-8-19/h3-5,9-10,19H,6-8,11-18H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone?
2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 354.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 118662460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).