N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide

C17H32F3NO3 — CID 58012546

IUPACN-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESCN(CCCCCCO)C(=O)CCCCCCOCCC(F)(F)F
InChIInChI=1S/C17H32F3NO3/c1-21(12-7-3-4-8-13-22)16(23)10-6-2-5-9-14-24-15-11-17(18,19)20/h22H,2-15H2,1H3
InChIKeyKBDKIGRSXDYRMD-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.92
Rot. Bonds15

About N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide

N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide (PubChem CID 58012546) has the molecular formula C17H32F3NO3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
PubChem CID58012546
Molecular FormulaC17H32F3NO3
Molecular Weight355.44 g/mol
Exact Mass355.23
IUPAC NameN-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESCN(CCCCCCO)C(=O)CCCCCCOCCC(F)(F)F
InChIInChI=1S/C17H32F3NO3/c1-21(12-7-3-4-8-13-22)16(23)10-6-2-5-9-14-24-15-11-17(18,19)20/h22H,2-15H2,1H3
InChIKeyKBDKIGRSXDYRMD-UHFFFAOYSA-N
XLogP3.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
The IUPAC name of N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide (CID 58012546) is N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide is CN(CCCCCCO)C(=O)CCCCCCOCCC(F)(F)F.
What is the InChIKey of N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
The InChIKey is KBDKIGRSXDYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3NO3/c1-21(12-7-3-4-8-13-22)16(23)10-6-2-5-9-14-24-15-11-17(18,19)20/h22H,2-15H2,1H3.
What are the key properties of N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide?
N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide has a molecular weight of 355.44 g/mol, XLogP of 3.92, 15 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-(3,3,3-trifluoropropoxy)heptanamide is sourced from PubChem (CID 58012546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).