N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide

C16H28F3NO2 — CID 15438697

IUPACN,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide
SMILESCCCCN(CCCC)C(=O)C(CCC(=O)CC)C(F)(F)F
InChIInChI=1S/C16H28F3NO2/c1-4-7-11-20(12-8-5-2)15(22)14(16(17,18)19)10-9-13(21)6-3/h14H,4-12H2,1-3H3
InChIKeyHOPGTQHXENBTDH-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.35
Rot. Bonds11

About N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide

N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide (PubChem CID 15438697) has the molecular formula C16H28F3NO2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide.

Molecular Properties

Compound NameN,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide
PubChem CID15438697
Molecular FormulaC16H28F3NO2
Molecular Weight323.40 g/mol
Exact Mass323.21
IUPAC NameN,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide
SMILESCCCCN(CCCC)C(=O)C(CCC(=O)CC)C(F)(F)F
InChIInChI=1S/C16H28F3NO2/c1-4-7-11-20(12-8-5-2)15(22)14(16(17,18)19)10-9-13(21)6-3/h14H,4-12H2,1-3H3
InChIKeyHOPGTQHXENBTDH-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-4-methyl-5-oxo-2-(trifluoromethyl)hexanamide
CID 15438698
N,N-diethyl-2-(trifluoromethyl)decanamide
CID 87943520
N,N-diethyl-2-(trifluoromethyl)nonanamide
CID 87943381
N,N-dibutyl-2-methylpentanamide
CID 2904869
2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
CID 89240534
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
5-(trifluoromethyl)undecan-6-one
CID 14914268
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
N-(2-bromoethyl)-N-butyl-2-propylpentanamide
CID 82987659
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide?
The IUPAC name of N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide (CID 15438697) is N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide.
What is the SMILES notation for N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide?
The canonical SMILES for N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide is CCCCN(CCCC)C(=O)C(CCC(=O)CC)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide?
The InChIKey is HOPGTQHXENBTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO2/c1-4-7-11-20(12-8-5-2)15(22)14(16(17,18)19)10-9-13(21)6-3/h14H,4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide?
N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide has a molecular weight of 323.40 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide is sourced from PubChem (CID 15438697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).