2-(2-methyl-1-adamantyl)acetamide

C13H21NO — CID 166176592

IUPAC2-(2-methyl-1-adamantyl)acetamide
SMILESCC1C2CC3CC(C2)CC1(CC(N)=O)C3
InChIInChI=1S/C13H21NO/c1-8-11-3-9-2-10(4-11)6-13(8,5-9)7-12(14)15/h8-11H,2-7H2,1H3,(H2,14,15)
InChIKeyMPPHOFXUPDWDTO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-methyl-1-adamantyl)acetamide

2-(2-methyl-1-adamantyl)acetamide (PubChem CID 166176592) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-methyl-1-adamantyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1-adamantyl)acetamide
PubChem CID166176592
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-methyl-1-adamantyl)acetamide
SMILESCC1C2CC3CC(C2)CC1(CC(N)=O)C3
InChIInChI=1S/C13H21NO/c1-8-11-3-9-2-10(4-11)6-13(8,5-9)7-12(14)15/h8-11H,2-7H2,1H3,(H2,14,15)
InChIKeyMPPHOFXUPDWDTO-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyladamantane-1-carboxamide
CID 18421545
3,3-dimethyl-1-(2-methyl-1-adamantyl)pentan-2-one;3,3-dimethyl-1-(2-methylcyclohexyl)pentan-2-one;ethane
CID 160652954
2-(2-methyl-1-adamantyl)prop-2-enoic acid
CID 67205612
2-bromo-2-(2-methyl-1-adamantyl)acetic acid
CID 87461971
7-(1-adamantyl)heptanamide
CID 173130136
adamantane-1-carboxamide
CID 21686
2-(1-adamantylsulfanyl)acetamide
CID 2828179
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
1-(1-adamantyl)-2-methyladamantane
CID 70177781
but-2-enoic acid;1,2-dimethyladamantane
CID 162013696
[3-(2-methyl-1-adamantyl)-2-oxo-1-(4-phenylsulfanylphenoxy)propyl] trifluoromethanesulfonate
CID 87492530

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-adamantyl)acetamide?
The IUPAC name of 2-(2-methyl-1-adamantyl)acetamide (CID 166176592) is 2-(2-methyl-1-adamantyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1-adamantyl)acetamide?
The canonical SMILES for 2-(2-methyl-1-adamantyl)acetamide is CC1C2CC3CC(C2)CC1(CC(N)=O)C3.
What is the InChIKey of 2-(2-methyl-1-adamantyl)acetamide?
The InChIKey is MPPHOFXUPDWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8-11-3-9-2-10(4-11)6-13(8,5-9)7-12(14)15/h8-11H,2-7H2,1H3,(H2,14,15).
What are the key properties of 2-(2-methyl-1-adamantyl)acetamide?
2-(2-methyl-1-adamantyl)acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-adamantyl)acetamide is sourced from PubChem (CID 166176592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).