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

C20H27F3N4O2 — CID 130209737

IUPAC2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC(F)(F)F
InChIInChI=1S/C20H27F3N4O2/c1-25(2)19(15-6-4-3-5-7-15)10-8-18(9-11-19)13-26(12-16(24)28)17(29)27(18)14-20(21,22)23/h3-7H,8-14H2,1-2H3,(H2,24,28)
InChIKeyTVEDZAUYGJLAOB-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.54
Rot. Bonds5

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

2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130209737) has the molecular formula C20H27F3N4O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID130209737
Molecular FormulaC20H27F3N4O2
Molecular Weight412.46 g/mol
Exact Mass412.21
IUPAC Name2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC(F)(F)F
InChIInChI=1S/C20H27F3N4O2/c1-25(2)19(15-6-4-3-5-7-15)10-8-18(9-11-19)13-26(12-16(24)28)17(29)27(18)14-20(21,22)23/h3-7H,8-14H2,1-2H3,(H2,24,28)
InChIKeyTVEDZAUYGJLAOB-UHFFFAOYSA-N
XLogP2.54
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130209737) is 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC(F)(F)F.
What is the InChIKey of 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is TVEDZAUYGJLAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c1-25(2)19(15-6-4-3-5-7-15)10-8-18(9-11-19)13-26(12-16(24)28)17(29)27(18)14-20(21,22)23/h3-7H,8-14H2,1-2H3,(H2,24,28).
What are the key properties of 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 412.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-2-oxo-8-phenyl-1-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130209737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).