N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide

C16H28F3NO2 — CID 15438698

IUPACN,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide
SMILESCCCCN(CCCC)C(=O)C(CC(C)C(C)=O)C(F)(F)F
InChIInChI=1S/C16H28F3NO2/c1-5-7-9-20(10-8-6-2)15(22)14(16(17,18)19)11-12(3)13(4)21/h12,14H,5-11H2,1-4H3
InChIKeyRSVGANCNYSDNDS-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.21
Rot. Bonds10

About N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide

N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide (PubChem CID 15438698) has the molecular formula C16H28F3NO2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide.

Molecular Properties

Compound NameN,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide
PubChem CID15438698
Molecular FormulaC16H28F3NO2
Molecular Weight323.40 g/mol
Exact Mass323.21
IUPAC NameN,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide
SMILESCCCCN(CCCC)C(=O)C(CC(C)C(C)=O)C(F)(F)F
InChIInChI=1S/C16H28F3NO2/c1-5-7-9-20(10-8-6-2)15(22)14(16(17,18)19)11-12(3)13(4)21/h12,14H,5-11H2,1-4H3
InChIKeyRSVGANCNYSDNDS-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide?
The IUPAC name of N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide (CID 15438698) is N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide.
What is the SMILES notation for N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide?
The canonical SMILES for N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide is CCCCN(CCCC)C(=O)C(CC(C)C(C)=O)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide?
The InChIKey is RSVGANCNYSDNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO2/c1-5-7-9-20(10-8-6-2)15(22)14(16(17,18)19)11-12(3)13(4)21/h12,14H,5-11H2,1-4H3.
What are the key properties of N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide?
N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide has a molecular weight of 323.40 g/mol, XLogP of 4.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide is sourced from PubChem (CID 15438698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).