N-(2-adamantyl)-3-methylbutanamide

C15H25NO — CID 959856

IUPACN-(2-adamantyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H25NO/c1-9(2)3-14(17)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h9-13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyIARSNPZZLMAZGA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.97
Rot. Bonds3

About N-(2-adamantyl)-3-methylbutanamide

N-(2-adamantyl)-3-methylbutanamide (PubChem CID 959856) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-adamantyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-methylbutanamide
PubChem CID959856
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-adamantyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H25NO/c1-9(2)3-14(17)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h9-13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyIARSNPZZLMAZGA-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-methylbutanamide?
The IUPAC name of N-(2-adamantyl)-3-methylbutanamide (CID 959856) is N-(2-adamantyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-adamantyl)-3-methylbutanamide?
The canonical SMILES for N-(2-adamantyl)-3-methylbutanamide is CC(C)CC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-methylbutanamide?
The InChIKey is IARSNPZZLMAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9(2)3-14(17)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h9-13,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-adamantyl)-3-methylbutanamide?
N-(2-adamantyl)-3-methylbutanamide has a molecular weight of 235.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-methylbutanamide is sourced from PubChem (CID 959856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).