2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide

C15H25NO — CID 79986924

IUPAC2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
SMILESCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-13-4-11-5-14(2,8-13)10-15(6-11,9-13)7-12(17)16-3/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyUXEGLWOBNZWMNQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds2

About 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide

2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide (PubChem CID 79986924) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
PubChem CID79986924
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
SMILESCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-13-4-11-5-14(2,8-13)10-15(6-11,9-13)7-12(17)16-3/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyUXEGLWOBNZWMNQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide (CID 79986924) is 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide is CNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide?
The InChIKey is UXEGLWOBNZWMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-4-11-5-14(2,8-13)10-15(6-11,9-13)7-12(17)16-3/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide?
2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide has a molecular weight of 235.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide is sourced from PubChem (CID 79986924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).