N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide

C17H34INO — CID 155298915

IUPACN-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
SMILESCC(C)(C)CCCCNC(=O)CCCCCC(C)(C)I
InChIInChI=1S/C17H34INO/c1-16(2,3)12-9-10-14-19-15(20)11-7-6-8-13-17(4,5)18/h6-14H2,1-5H3,(H,19,20)
InChIKeyPIXHRNXHFSXUGE-UHFFFAOYSA-N
MW395.37 g/mol
LogP5.48
Rot. Bonds10

About N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide

N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide (PubChem CID 155298915) has the molecular formula C17H34INO and a molecular weight of 395.37 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
PubChem CID155298915
Molecular FormulaC17H34INO
Molecular Weight395.37 g/mol
Exact Mass395.17
IUPAC NameN-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
SMILESCC(C)(C)CCCCNC(=O)CCCCCC(C)(C)I
InChIInChI=1S/C17H34INO/c1-16(2,3)12-9-10-14-19-15(20)11-7-6-8-13-17(4,5)18/h6-14H2,1-5H3,(H,19,20)
InChIKeyPIXHRNXHFSXUGE-UHFFFAOYSA-N
XLogP5.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.37
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
CID 91426047
1-aminopropan-2-ol;6-(6,6-dimethylheptanoylamino)hexanoic acid
CID 138402047
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443
N-(4,4-dimethylpentyl)-6-oxohexanamide
CID 171520123
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide?
The IUPAC name of N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide (CID 155298915) is N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide is CC(C)(C)CCCCNC(=O)CCCCCC(C)(C)I.
What is the InChIKey of N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide?
The InChIKey is PIXHRNXHFSXUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34INO/c1-16(2,3)12-9-10-14-19-15(20)11-7-6-8-13-17(4,5)18/h6-14H2,1-5H3,(H,19,20).
What are the key properties of N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide?
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide has a molecular weight of 395.37 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide is sourced from PubChem (CID 155298915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).