N-(2-ethynyl-2-adamantyl)acetamide

C14H19NO — CID 15498907

IUPACN-(2-ethynyl-2-adamantyl)acetamide
SMILESC#CC1(NC(C)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19NO/c1-3-14(15-9(2)16)12-5-10-4-11(7-12)8-13(14)6-10/h1,10-13H,4-8H2,2H3,(H,15,16)
InChIKeyMRUDCXPKYDPOAT-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.95
Rot. Bonds1

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

N-(2-ethynyl-2-adamantyl)acetamide (PubChem CID 15498907) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-ethynyl-2-adamantyl)acetamide.

Molecular Properties

Compound NameN-(2-ethynyl-2-adamantyl)acetamide
PubChem CID15498907
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-ethynyl-2-adamantyl)acetamide
SMILESC#CC1(NC(C)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19NO/c1-3-14(15-9(2)16)12-5-10-4-11(7-12)8-13(14)6-10/h1,10-13H,4-8H2,2H3,(H,15,16)
InChIKeyMRUDCXPKYDPOAT-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethynyl-2-adamantyl)acetamide?
The IUPAC name of N-(2-ethynyl-2-adamantyl)acetamide (CID 15498907) is N-(2-ethynyl-2-adamantyl)acetamide.
What is the SMILES notation for N-(2-ethynyl-2-adamantyl)acetamide?
The canonical SMILES for N-(2-ethynyl-2-adamantyl)acetamide is C#CC1(NC(C)=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-ethynyl-2-adamantyl)acetamide?
The InChIKey is MRUDCXPKYDPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(15-9(2)16)12-5-10-4-11(7-12)8-13(14)6-10/h1,10-13H,4-8H2,2H3,(H,15,16).
What are the key properties of N-(2-ethynyl-2-adamantyl)acetamide?
N-(2-ethynyl-2-adamantyl)acetamide has a molecular weight of 217.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethynyl-2-adamantyl)acetamide is sourced from PubChem (CID 15498907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).