N-(1-adamantyl)dodecanamide

C22H39NO — CID 5071820

IUPACN-(1-adamantyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-21(24)23-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H,23,24)
InChIKeyFRFKXRWIBACCCN-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.99
Rot. Bonds11

About N-(1-adamantyl)dodecanamide

N-(1-adamantyl)dodecanamide (PubChem CID 5071820) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is N-(1-adamantyl)dodecanamide.

Molecular Properties

Compound NameN-(1-adamantyl)dodecanamide
PubChem CID5071820
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC NameN-(1-adamantyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-21(24)23-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H,23,24)
InChIKeyFRFKXRWIBACCCN-UHFFFAOYSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.99
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)dodecanamide?
The IUPAC name of N-(1-adamantyl)dodecanamide (CID 5071820) is N-(1-adamantyl)dodecanamide.
What is the SMILES notation for N-(1-adamantyl)dodecanamide?
The canonical SMILES for N-(1-adamantyl)dodecanamide is CCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)dodecanamide?
The InChIKey is FRFKXRWIBACCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-21(24)23-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H,23,24).
What are the key properties of N-(1-adamantyl)dodecanamide?
N-(1-adamantyl)dodecanamide has a molecular weight of 333.56 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)dodecanamide is sourced from PubChem (CID 5071820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).