N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide

C15H22F3NO2 — CID 10638282

IUPACN-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide
SMILESCCC(O)(C(=O)NC1C2CC3CC(C2)CC1C3)C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-2-14(21,15(16,17)18)13(20)19-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,21H,2-7H2,1H3,(H,19,20)
InChIKeyWNDQVYGCIFRESC-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.63
Rot. Bonds3

About N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide

N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide (PubChem CID 10638282) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide
PubChem CID10638282
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide
SMILESCCC(O)(C(=O)NC1C2CC3CC(C2)CC1C3)C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-2-14(21,15(16,17)18)13(20)19-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,21H,2-7H2,1H3,(H,19,20)
InChIKeyWNDQVYGCIFRESC-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
The IUPAC name of N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide (CID 10638282) is N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
The canonical SMILES for N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide is CCC(O)(C(=O)NC1C2CC3CC(C2)CC1C3)C(F)(F)F.
What is the InChIKey of N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
The InChIKey is WNDQVYGCIFRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-2-14(21,15(16,17)18)13(20)19-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,21H,2-7H2,1H3,(H,19,20).
What are the key properties of N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide?
N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide has a molecular weight of 305.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 10638282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).