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

C15H25NO — CID 2919430

IUPACN-[2-(1-adamantyl)ethyl]propanamide
SMILESCCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-2-14(17)16-4-3-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyRUCIKNOEKQNLIG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds4

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

N-[2-(1-adamantyl)ethyl]propanamide (PubChem CID 2919430) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]propanamide
PubChem CID2919430
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(1-adamantyl)ethyl]propanamide
SMILESCCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-2-14(17)16-4-3-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyRUCIKNOEKQNLIG-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
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]propanamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]propanamide (CID 2919430) is N-[2-(1-adamantyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]propanamide is CCC(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]propanamide?
The InChIKey is RUCIKNOEKQNLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-14(17)16-4-3-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(1-adamantyl)ethyl]propanamide?
N-[2-(1-adamantyl)ethyl]propanamide has a molecular weight of 235.37 g/mol, XLogP of 3.12, 4 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]propanamide is sourced from PubChem (CID 2919430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).