2-(1-adamantyl)-N-decylacetamide

C22H39NO — CID 11382033

IUPAC2-(1-adamantyl)-N-decylacetamide
SMILESCCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-23-21(24)17-22-14-18-11-19(15-22)13-20(12-18)16-22/h18-20H,2-17H2,1H3,(H,23,24)
InChIKeyCIOJRKYNUJJCLZ-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.85
Rot. Bonds11

About 2-(1-adamantyl)-N-decylacetamide

2-(1-adamantyl)-N-decylacetamide (PubChem CID 11382033) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-decylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-decylacetamide
PubChem CID11382033
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-(1-adamantyl)-N-decylacetamide
SMILESCCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-23-21(24)17-22-14-18-11-19(15-22)13-20(12-18)16-22/h18-20H,2-17H2,1H3,(H,23,24)
InChIKeyCIOJRKYNUJJCLZ-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
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 2-(1-adamantyl)-N-decylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-decylacetamide (CID 11382033) is 2-(1-adamantyl)-N-decylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-decylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-decylacetamide is CCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-decylacetamide?
The InChIKey is CIOJRKYNUJJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-23-21(24)17-22-14-18-11-19(15-22)13-20(12-18)16-22/h18-20H,2-17H2,1H3,(H,23,24).
What are the key properties of 2-(1-adamantyl)-N-decylacetamide?
2-(1-adamantyl)-N-decylacetamide has a molecular weight of 333.56 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-decylacetamide is sourced from PubChem (CID 11382033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).