N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide

C17H20F15NO3 — CID 91264883

IUPACN-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
SMILESCCN(CCCCC(CO)CO)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H20F15NO3/c1-2-33(6-4-3-5-9(7-34)8-35)10(36)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9,34-35H,2-8H2,1H3
InChIKeySVGOIWGMXGTZSM-UHFFFAOYSA-N
MW571.32 g/mol
LogP4.98
Rot. Bonds14

About N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide

N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide (PubChem CID 91264883) has the molecular formula C17H20F15NO3 and a molecular weight of 571.32 g/mol. Its IUPAC name is N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
PubChem CID91264883
Molecular FormulaC17H20F15NO3
Molecular Weight571.32 g/mol
Exact Mass571.12
IUPAC NameN-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
SMILESCCN(CCCCC(CO)CO)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H20F15NO3/c1-2-33(6-4-3-5-9(7-34)8-35)10(36)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9,34-35H,2-8H2,1H3
InChIKeySVGOIWGMXGTZSM-UHFFFAOYSA-N
XLogP4.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.32
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide with MolForge

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

Launch Full Analysis

Related Compounds

7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide
CID 58012539
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(6-hydroxyhexyl)octanamide
CID 87965068
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(4-hydroxybutyl)octanamide
CID 87965585
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
CID 87965865
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-4-(2-hydroxyethyl)hexyl]octanamide
CID 87965965
4,4-difluoro-N-(5-hydroxypentyl)-N-methylcyclohexane-1-carboxamide
CID 107202557
3,3-difluoro-N-(5-hydroxypentyl)-N-methylcyclohexane-1-carboxamide
CID 114226451
6,6,6-Trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 145241923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
The IUPAC name of N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide (CID 91264883) is N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide.
What is the SMILES notation for N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
The canonical SMILES for N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide is CCN(CCCCC(CO)CO)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
The InChIKey is SVGOIWGMXGTZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F15NO3/c1-2-33(6-4-3-5-9(7-34)8-35)10(36)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9,34-35H,2-8H2,1H3.
What are the key properties of N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide has a molecular weight of 571.32 g/mol, XLogP of 4.98, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide is sourced from PubChem (CID 91264883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).