2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one

C22H32N2O — CID 118662299

IUPAC2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC1CCC1)C2
InChIInChI=1S/C22H32N2O/c1-23(2)22(19-9-4-3-5-10-19)13-11-21(12-14-22)15-20(25)24(17-21)16-18-7-6-8-18/h3-5,9-10,18H,6-8,11-17H2,1-2H3
InChIKeyQFKHULMYQVIVJC-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.04
Rot. Bonds4

About 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one

2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 118662299) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID118662299
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC1CCC1)C2
InChIInChI=1S/C22H32N2O/c1-23(2)22(19-9-4-3-5-10-19)13-11-21(12-14-22)15-20(25)24(17-21)16-18-7-6-8-18/h3-5,9-10,18H,6-8,11-17H2,1-2H3
InChIKeyQFKHULMYQVIVJC-UHFFFAOYSA-N
XLogP4.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one (CID 118662299) is 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one is CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC1CCC1)C2.
What is the InChIKey of 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is QFKHULMYQVIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-23(2)22(19-9-4-3-5-10-19)13-11-21(12-14-22)15-20(25)24(17-21)16-18-7-6-8-18/h3-5,9-10,18H,6-8,11-17H2,1-2H3.
What are the key properties of 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 340.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).