N-(1-adamantyl)octanamide

C18H31NO — CID 4255834

IUPACN-(1-adamantyl)octanamide
SMILESCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-17(20)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3,(H,19,20)
InChIKeyIRGXQOZJQZYLCT-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds7

About N-(1-adamantyl)octanamide

N-(1-adamantyl)octanamide (PubChem CID 4255834) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(1-adamantyl)octanamide.

Molecular Properties

Compound NameN-(1-adamantyl)octanamide
PubChem CID4255834
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(1-adamantyl)octanamide
SMILESCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-17(20)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3,(H,19,20)
InChIKeyIRGXQOZJQZYLCT-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(1-adamantyl)octanamide?
The IUPAC name of N-(1-adamantyl)octanamide (CID 4255834) is N-(1-adamantyl)octanamide.
What is the SMILES notation for N-(1-adamantyl)octanamide?
The canonical SMILES for N-(1-adamantyl)octanamide is CCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)octanamide?
The InChIKey is IRGXQOZJQZYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-17(20)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3,(H,19,20).
What are the key properties of N-(1-adamantyl)octanamide?
N-(1-adamantyl)octanamide has a molecular weight of 277.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)octanamide is sourced from PubChem (CID 4255834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).