N-(2-methyl-2-adamantyl)acetamide

C13H21NO — CID 836950

IUPACN-(2-methyl-2-adamantyl)acetamide
SMILESCC(=O)NC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H21NO/c1-8(15)14-13(2)11-4-9-3-10(6-11)7-12(13)5-9/h9-12H,3-7H2,1-2H3,(H,14,15)
InChIKeyZDGRLVYZLWMWKL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds1

About N-(2-methyl-2-adamantyl)acetamide

N-(2-methyl-2-adamantyl)acetamide (PubChem CID 836950) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-methyl-2-adamantyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-adamantyl)acetamide
PubChem CID836950
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2-methyl-2-adamantyl)acetamide
SMILESCC(=O)NC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H21NO/c1-8(15)14-13(2)11-4-9-3-10(6-11)7-12(13)5-9/h9-12H,3-7H2,1-2H3,(H,14,15)
InChIKeyZDGRLVYZLWMWKL-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 N-(2-methyl-2-adamantyl)acetamide?
The IUPAC name of N-(2-methyl-2-adamantyl)acetamide (CID 836950) is N-(2-methyl-2-adamantyl)acetamide.
What is the SMILES notation for N-(2-methyl-2-adamantyl)acetamide?
The canonical SMILES for N-(2-methyl-2-adamantyl)acetamide is CC(=O)NC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-methyl-2-adamantyl)acetamide?
The InChIKey is ZDGRLVYZLWMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8(15)14-13(2)11-4-9-3-10(6-11)7-12(13)5-9/h9-12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methyl-2-adamantyl)acetamide?
N-(2-methyl-2-adamantyl)acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-adamantyl)acetamide is sourced from PubChem (CID 836950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).