N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide

C19H36F3NO3 — CID 58012545

IUPACN-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESCN(CCCCCCCCO)C(=O)CCCCCCOCCC(F)(F)F
InChIInChI=1S/C19H36F3NO3/c1-23(14-9-5-2-3-6-10-15-24)18(25)12-8-4-7-11-16-26-17-13-19(20,21)22/h24H,2-17H2,1H3
InChIKeyRZAQMPHXFLPGLE-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.70
Rot. Bonds17

About N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide

N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide (PubChem CID 58012545) has the molecular formula C19H36F3NO3 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide.

Molecular Properties

Compound NameN-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
PubChem CID58012545
Molecular FormulaC19H36F3NO3
Molecular Weight383.50 g/mol
Exact Mass383.26
IUPAC NameN-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESCN(CCCCCCCCO)C(=O)CCCCCCOCCC(F)(F)F
InChIInChI=1S/C19H36F3NO3/c1-23(14-9-5-2-3-6-10-15-24)18(25)12-8-4-7-11-16-26-17-13-19(20,21)22/h24H,2-17H2,1H3
InChIKeyRZAQMPHXFLPGLE-UHFFFAOYSA-N
XLogP4.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.70
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-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
The IUPAC name of N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide (CID 58012545) is N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide.
What is the SMILES notation for N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
The canonical SMILES for N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide is CN(CCCCCCCCO)C(=O)CCCCCCOCCC(F)(F)F.
What is the InChIKey of N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
The InChIKey is RZAQMPHXFLPGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F3NO3/c1-23(14-9-5-2-3-6-10-15-24)18(25)12-8-4-7-11-16-26-17-13-19(20,21)22/h24H,2-17H2,1H3.
What are the key properties of N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide has a molecular weight of 383.50 g/mol, XLogP of 4.70, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide is sourced from PubChem (CID 58012545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).