N-(2-adamantyl)-2-(2-aminoethoxy)acetamide

C14H24N2O2 — CID 79473304

IUPACN-(2-adamantyl)-2-(2-aminoethoxy)acetamide
SMILESNCCOCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O2/c15-1-2-18-8-13(17)16-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,1-8,15H2,(H,16,17)
InChIKeyGMKLGBFSEMTBRT-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.90
Rot. Bonds5

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

N-(2-adamantyl)-2-(2-aminoethoxy)acetamide (PubChem CID 79473304) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2-aminoethoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2-aminoethoxy)acetamide
PubChem CID79473304
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-adamantyl)-2-(2-aminoethoxy)acetamide
SMILESNCCOCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O2/c15-1-2-18-8-13(17)16-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,1-8,15H2,(H,16,17)
InChIKeyGMKLGBFSEMTBRT-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(2-aminoethoxy)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(2-aminoethoxy)acetamide (CID 79473304) is N-(2-adamantyl)-2-(2-aminoethoxy)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(2-aminoethoxy)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(2-aminoethoxy)acetamide is NCCOCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(2-aminoethoxy)acetamide?
The InChIKey is GMKLGBFSEMTBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-1-2-18-8-13(17)16-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,1-8,15H2,(H,16,17).
What are the key properties of N-(2-adamantyl)-2-(2-aminoethoxy)acetamide?
N-(2-adamantyl)-2-(2-aminoethoxy)acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(2-aminoethoxy)acetamide is sourced from PubChem (CID 79473304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).