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

C21H30N4O — CID 130202962

IUPAC3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2
InChIInChI=1S/C21H30N4O/c1-4-23-21(17-8-6-5-7-9-17)12-10-20(11-13-21)16-25(18(26)24-20)15-19(2,3)14-22/h5-9,23H,4,10-13,15-16H2,1-3H3,(H,24,26)
InChIKeyJJYDCXFYYCNDHU-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.38
Rot. Bonds5

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

3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (PubChem CID 130202962) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
PubChem CID130202962
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2
InChIInChI=1S/C21H30N4O/c1-4-23-21(17-8-6-5-7-9-17)12-10-20(11-13-21)16-25(18(26)24-20)15-19(2,3)14-22/h5-9,23H,4,10-13,15-16H2,1-3H3,(H,24,26)
InChIKeyJJYDCXFYYCNDHU-UHFFFAOYSA-N
XLogP3.38
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The IUPAC name of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile (CID 130202962) is 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is CCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.
What is the InChIKey of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
The InChIKey is JJYDCXFYYCNDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-23-21(17-8-6-5-7-9-17)12-10-20(11-13-21)16-25(18(26)24-20)15-19(2,3)14-22/h5-9,23H,4,10-13,15-16H2,1-3H3,(H,24,26).
What are the key properties of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile?
3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile has a molecular weight of 354.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile is sourced from PubChem (CID 130202962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).