N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide

C12H19NO — CID 169432570

IUPACN-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide
SMILES[2H]C1([2H])C2([2H])C([2H])([2H])C3([2H])C([2H])([2H])C1([2H])C([2H])([2H])C(NC(C)=O)(C2([2H])[2H])C3([2H])[2H]
InChIInChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/i2D2,3D2,4D2,5D2,6D2,7D2,9D,10D,11D
InChIKeyBCVXYGJCDZPKGV-ADAHVAKYSA-N
MW208.38 g/mol
LogP2.09
Rot. Bonds1

About N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide

N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide (PubChem CID 169432570) has the molecular formula C12H19NO and a molecular weight of 208.38 g/mol. Its IUPAC name is N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide
PubChem CID169432570
Molecular FormulaC12H19NO
Molecular Weight208.38 g/mol
Exact Mass208.24
IUPAC NameN-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide
SMILES[2H]C1([2H])C2([2H])C([2H])([2H])C3([2H])C([2H])([2H])C1([2H])C([2H])([2H])C(NC(C)=O)(C2([2H])[2H])C3([2H])[2H]
InChIInChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/i2D2,3D2,4D2,5D2,6D2,7D2,9D,10D,11D
InChIKeyBCVXYGJCDZPKGV-ADAHVAKYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide with MolForge

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Related Compounds

2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterioadamantane-1-carboxylic acid
CID 90471602
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
N-(1-cyclopropylcyclopropyl)acetamide
CID 131085975
N-(4-methyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 118411518
N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide
CID 142562212
N-(5-methyl-1-tricyclo[3.2.2.02,4]nonanyl)acetamide
CID 130011074
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide
CID 131858364
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide?
The IUPAC name of N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide (CID 169432570) is N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide.
What is the SMILES notation for N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide?
The canonical SMILES for N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide is [2H]C1([2H])C2([2H])C([2H])([2H])C3([2H])C([2H])([2H])C1([2H])C([2H])([2H])C(NC(C)=O)(C2([2H])[2H])C3([2H])[2H].
What is the InChIKey of N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide?
The InChIKey is BCVXYGJCDZPKGV-ADAHVAKYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/i2D2,3D2,4D2,5D2,6D2,7D2,9D,10D,11D.
What are the key properties of N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide?
N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide has a molecular weight of 208.38 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide is sourced from PubChem (CID 169432570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).