N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide

C18H27F2NO — CID 168720292

IUPACN-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide
SMILESC=C(CC(F)(F)C(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C18H27F2NO/c1-11(2)12(3)7-18(19,20)16(22)21-17-8-13-4-14(9-17)6-15(5-13)10-17/h11,13-15H,3-10H2,1-2H3,(H,21,22)
InChIKeyWBJPZCFSLQXEEJ-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.31
Rot. Bonds5

About N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide

N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide (PubChem CID 168720292) has the molecular formula C18H27F2NO and a molecular weight of 311.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide
PubChem CID168720292
Molecular FormulaC18H27F2NO
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC NameN-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide
SMILESC=C(CC(F)(F)C(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C18H27F2NO/c1-11(2)12(3)7-18(19,20)16(22)21-17-8-13-4-14(9-17)6-15(5-13)10-17/h11,13-15H,3-10H2,1-2H3,(H,21,22)
InChIKeyWBJPZCFSLQXEEJ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide 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

N-(1-adamantyl)-3,7-dimethyloct-6-enamide
CID 162655498
N-(1-adamantyl)-2,2-difluoro-4,5-dimethylhexanamide
CID 170555212
N-(1-adamantyl)hex-5-enamide
CID 158950018

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide?
The IUPAC name of N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide (CID 168720292) is N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide.
What is the SMILES notation for N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide?
The canonical SMILES for N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide is C=C(CC(F)(F)C(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C.
What is the InChIKey of N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide?
The InChIKey is WBJPZCFSLQXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO/c1-11(2)12(3)7-18(19,20)16(22)21-17-8-13-4-14(9-17)6-15(5-13)10-17/h11,13-15H,3-10H2,1-2H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide?
N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide has a molecular weight of 311.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,2-difluoro-5-methyl-4-methylidenehexanamide is sourced from PubChem (CID 168720292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).