N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide

C15H25NO3 — CID 78798815

IUPACN-(2-adamantyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H25NO3/c1-18-2-3-19-9-14(17)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyOEZZOLZIGFQKND-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.59
Rot. Bonds6

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

N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 78798815) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2-methoxyethoxy)acetamide
PubChem CID78798815
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-(2-adamantyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H25NO3/c1-18-2-3-19-9-14(17)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyOEZZOLZIGFQKND-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
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-methoxyethoxy)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide (CID 78798815) is N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is OEZZOLZIGFQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-18-2-3-19-9-14(17)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide?
N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 78798815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).