N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide

C15H28F3NO3 — CID 58012542

IUPACN-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide
SMILESCN(CCCCCCO)C(=O)CCCCCCOC(F)(F)F
InChIInChI=1S/C15H28F3NO3/c1-19(11-7-3-4-8-12-20)14(21)10-6-2-5-9-13-22-15(16,17)18/h20H,2-13H2,1H3
InChIKeyCVKVMYMNTHEPNW-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.48
Rot. Bonds13

About N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide

N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide (PubChem CID 58012542) has the molecular formula C15H28F3NO3 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide
PubChem CID58012542
Molecular FormulaC15H28F3NO3
Molecular Weight327.39 g/mol
Exact Mass327.20
IUPAC NameN-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide
SMILESCN(CCCCCCO)C(=O)CCCCCCOC(F)(F)F
InChIInChI=1S/C15H28F3NO3/c1-19(11-7-3-4-8-12-20)14(21)10-6-2-5-9-13-22-15(16,17)18/h20H,2-13H2,1H3
InChIKeyCVKVMYMNTHEPNW-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
The IUPAC name of N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide (CID 58012542) is N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide is CN(CCCCCCO)C(=O)CCCCCCOC(F)(F)F.
What is the InChIKey of N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
The InChIKey is CVKVMYMNTHEPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO3/c1-19(11-7-3-4-8-12-20)14(21)10-6-2-5-9-13-22-15(16,17)18/h20H,2-13H2,1H3.
What are the key properties of N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide has a molecular weight of 327.39 g/mol, XLogP of 3.48, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide is sourced from PubChem (CID 58012542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).