N-[2-(1-adamantyl)ethyl]acetamide

C14H23NO — CID 2918808

IUPACN-[2-(1-adamantyl)ethyl]acetamide
SMILESCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-10(16)15-3-2-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,2-9H2,1H3,(H,15,16)
InChIKeyHXAYZRXULAPTTH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds3

About N-[2-(1-adamantyl)ethyl]acetamide

N-[2-(1-adamantyl)ethyl]acetamide (PubChem CID 2918808) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]acetamide
PubChem CID2918808
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-(1-adamantyl)ethyl]acetamide
SMILESCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-10(16)15-3-2-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,2-9H2,1H3,(H,15,16)
InChIKeyHXAYZRXULAPTTH-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]acetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]acetamide (CID 2918808) is N-[2-(1-adamantyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]acetamide is CC(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]acetamide?
The InChIKey is HXAYZRXULAPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(16)15-3-2-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(1-adamantyl)ethyl]acetamide?
N-[2-(1-adamantyl)ethyl]acetamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 2918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).