2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide

C19H32F3N3O2 — CID 166297905

IUPAC2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CC(C)N(C(=O)CC(C)(C)CC(F)(F)F)C2
InChIInChI=1S/C19H32F3N3O2/c1-13-9-18(5-7-24(8-6-18)14(2)16(23)27)12-25(13)15(26)10-17(3,4)11-19(20,21)22/h13-14H,5-12H2,1-4H3,(H2,23,27)
InChIKeyNUQYGEWUVMCNMQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.93
Rot. Bonds5

About 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide

2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide (PubChem CID 166297905) has the molecular formula C19H32F3N3O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide.

Molecular Properties

Compound Name2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide
PubChem CID166297905
Molecular FormulaC19H32F3N3O2
Molecular Weight391.48 g/mol
Exact Mass391.24
IUPAC Name2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CC(C)N(C(=O)CC(C)(C)CC(F)(F)F)C2
InChIInChI=1S/C19H32F3N3O2/c1-13-9-18(5-7-24(8-6-18)14(2)16(23)27)12-25(13)15(26)10-17(3,4)11-19(20,21)22/h13-14H,5-12H2,1-4H3,(H2,23,27)
InChIKeyNUQYGEWUVMCNMQ-UHFFFAOYSA-N
XLogP2.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
The IUPAC name of 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide (CID 166297905) is 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide.
What is the SMILES notation for 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
The canonical SMILES for 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide is CC(C(N)=O)N1CCC2(CC1)CC(C)N(C(=O)CC(C)(C)CC(F)(F)F)C2.
What is the InChIKey of 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
The InChIKey is NUQYGEWUVMCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F3N3O2/c1-13-9-18(5-7-24(8-6-18)14(2)16(23)27)12-25(13)15(26)10-17(3,4)11-19(20,21)22/h13-14H,5-12H2,1-4H3,(H2,23,27).
What are the key properties of 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide has a molecular weight of 391.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide is sourced from PubChem (CID 166297905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).