2-(1-adamantyl)-N-methylacetamide

C13H21NO — CID 610088

IUPAC2-(1-adamantyl)-N-methylacetamide
SMILESCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c1-14-12(15)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyTWMKVKIJGLSCJT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds2

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

2-(1-adamantyl)-N-methylacetamide (PubChem CID 610088) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methylacetamide
PubChem CID610088
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(1-adamantyl)-N-methylacetamide
SMILESCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c1-14-12(15)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyTWMKVKIJGLSCJT-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-methylacetamide (CID 610088) is 2-(1-adamantyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-methylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-methylacetamide is CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-methylacetamide?
The InChIKey is TWMKVKIJGLSCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-12(15)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(1-adamantyl)-N-methylacetamide?
2-(1-adamantyl)-N-methylacetamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methylacetamide is sourced from PubChem (CID 610088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).