3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

C24H36N4O2 — CID 130200864

IUPAC3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCOCCN1C(=O)N(CC(C)(C)C#N)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C24H36N4O2/c1-22(2,17-25)18-27-19-23(28(21(27)29)15-16-30-5)11-13-24(14-12-23,26(3)4)20-9-7-6-8-10-20/h6-10H,11-16,18-19H2,1-5H3
InChIKeySQYHWXDENAMAHS-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.69
Rot. Bonds7

About 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile

3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (PubChem CID 130200864) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
PubChem CID130200864
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCOCCN1C(=O)N(CC(C)(C)C#N)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C24H36N4O2/c1-22(2,17-25)18-27-19-23(28(21(27)29)15-16-30-5)11-13-24(14-12-23,26(3)4)20-9-7-6-8-10-20/h6-10H,11-16,18-19H2,1-5H3
InChIKeySQYHWXDENAMAHS-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (CID 130200864) is 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is COCCN1C(=O)N(CC(C)(C)C#N)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The InChIKey is SQYHWXDENAMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-22(2,17-25)18-27-19-23(28(21(27)29)15-16-30-5)11-13-24(14-12-23,26(3)4)20-9-7-6-8-10-20/h6-10H,11-16,18-19H2,1-5H3.
What are the key properties of 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile has a molecular weight of 412.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 130200864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).