1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone

C23H34N2O2 — CID 118662319

IUPAC1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCOC3)C2)CC1
InChIInChI=1S/C23H34N2O2/c1-24(2)23(20-6-4-3-5-7-20)11-9-22(10-12-23)13-14-25(18-22)21(26)16-19-8-15-27-17-19/h3-7,19H,8-18H2,1-2H3
InChIKeyBNPZBZKYTPTTBT-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.66
Rot. Bonds4

About 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone (PubChem CID 118662319) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
PubChem CID118662319
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCOC3)C2)CC1
InChIInChI=1S/C23H34N2O2/c1-24(2)23(20-6-4-3-5-7-20)11-9-22(10-12-23)13-14-25(18-22)21(26)16-19-8-15-27-17-19/h3-7,19H,8-18H2,1-2H3
InChIKeyBNPZBZKYTPTTBT-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone (CID 118662319) is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone is CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCOC3)C2)CC1.
What is the InChIKey of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone?
The InChIKey is BNPZBZKYTPTTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-24(2)23(20-6-4-3-5-7-20)11-9-22(10-12-23)13-14-25(18-22)21(26)16-19-8-15-27-17-19/h3-7,19H,8-18H2,1-2H3.
What are the key properties of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone?
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone has a molecular weight of 370.54 g/mol, XLogP of 3.66, 4 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]-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 118662319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).