1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile

C24H33N3O — CID 118662159

IUPAC1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CCC1(C#N)CCC1)C2
InChIInChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-23(12-14-24)17-21(28)27(19-23)16-15-22(18-25)9-6-10-22/h3-5,7-8H,6,9-17,19H2,1-2H3
InChIKeyZYUUMWBXZQRLNX-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.32
Rot. Bonds5

About 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile

1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile (PubChem CID 118662159) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
PubChem CID118662159
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CCC1(C#N)CCC1)C2
InChIInChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-23(12-14-24)17-21(28)27(19-23)16-15-22(18-25)9-6-10-22/h3-5,7-8H,6,9-17,19H2,1-2H3
InChIKeyZYUUMWBXZQRLNX-UHFFFAOYSA-N
XLogP4.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile (CID 118662159) is 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CCC1(C#N)CCC1)C2.
What is the InChIKey of 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
The InChIKey is ZYUUMWBXZQRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-23(12-14-24)17-21(28)27(19-23)16-15-22(18-25)9-6-10-22/h3-5,7-8H,6,9-17,19H2,1-2H3.
What are the key properties of 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile?
1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile has a molecular weight of 379.55 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 118662159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).