N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide

C17H29NO — CID 2918104

IUPACN-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-16(2,3)15(19)18-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyGYGFSPNCFHXCAV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.76
Rot. Bonds3

About N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide

N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 2918104) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide
PubChem CID2918104
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO/c1-16(2,3)15(19)18-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,4-11H2,1-3H3,(H,18,19)
InChIKeyGYGFSPNCFHXCAV-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.76
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide (CID 2918104) is N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is GYGFSPNCFHXCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2,3)15(19)18-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 263.42 g/mol, XLogP of 3.76, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 2918104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).