N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide

C17H26N2O — CID 47230622

IUPACN-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c1-16(2,11-18)15(20)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyWRWDEIGQXKUOFW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide

N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide (PubChem CID 47230622) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
PubChem CID47230622
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c1-16(2,11-18)15(20)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-10H2,1-2H3,(H,19,20)
InChIKeyWRWDEIGQXKUOFW-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1-adamantyl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037248
N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide
CID 119679471
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108539787
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
CID 107299434
ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
CID 55208240
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
3-[2-(1-adamantyl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381598
3-(1-adamantyl)propanenitrile
CID 3366901

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide (CID 47230622) is N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
The InChIKey is WRWDEIGQXKUOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2,11-18)15(20)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide?
N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 47230622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).