N-(1-adamantyl)-2-(methylamino)acetamide

C13H22N2O — CID 2884550

IUPACN-(1-adamantyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22N2O/c1-14-8-12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,14H,2-8H2,1H3,(H,15,16)
InChIKeySHXKRMMITDEQSE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds3

About N-(1-adamantyl)-2-(methylamino)acetamide

N-(1-adamantyl)-2-(methylamino)acetamide (PubChem CID 2884550) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(methylamino)acetamide
PubChem CID2884550
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-adamantyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22N2O/c1-14-8-12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,14H,2-8H2,1H3,(H,15,16)
InChIKeySHXKRMMITDEQSE-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(methylamino)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(methylamino)acetamide (CID 2884550) is N-(1-adamantyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(methylamino)acetamide is CNCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(methylamino)acetamide?
The InChIKey is SHXKRMMITDEQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-8-12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11,14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(1-adamantyl)-2-(methylamino)acetamide?
N-(1-adamantyl)-2-(methylamino)acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(methylamino)acetamide is sourced from PubChem (CID 2884550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).