N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide

C17H23F3N2O2 — CID 21063661

IUPACN-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide
SMILESCCC(C)(C(=O)NC12CC3CC(O)(CC(C#N)(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-3-13(2,17(18,19)20)12(23)22-15-5-11-4-14(7-15,10-21)8-16(24,6-11)9-15/h11,24H,3-9H2,1-2H3,(H,22,23)
InChIKeyARLFOTCWAIVRIH-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.06
Rot. Bonds3

About N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide

N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide (PubChem CID 21063661) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide
PubChem CID21063661
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide
SMILESCCC(C)(C(=O)NC12CC3CC(O)(CC(C#N)(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-3-13(2,17(18,19)20)12(23)22-15-5-11-4-14(7-15,10-21)8-16(24,6-11)9-15/h11,24H,3-9H2,1-2H3,(H,22,23)
InChIKeyARLFOTCWAIVRIH-UHFFFAOYSA-N
XLogP3.06
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dicyano-1-adamantyl)-2-fluoro-2-methylbutanamide
CID 21063654
(3-cyano-5-hydroxy-1-adamantyl) 2-methyl-2-(trifluoromethyl)butanoate
CID 21063648
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
CID 21063620
2-cyano-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998257
2-(3-hydroxy-1-adamantyl)propan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 21063578
(3-hydroxy-1-adamantyl)methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59229019
N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 138690598
2-cyano-2-methyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]butanamide
CID 136543044
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate
CID 18336296
N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
CID 102055809
tert-butyl N-(3-hydroxy-1-adamantyl)carbamate
CID 59134555

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide?
The IUPAC name of N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide (CID 21063661) is N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide is CCC(C)(C(=O)NC12CC3CC(O)(CC(C#N)(C3)C1)C2)C(F)(F)F.
What is the InChIKey of N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide?
The InChIKey is ARLFOTCWAIVRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-13(2,17(18,19)20)12(23)22-15-5-11-4-14(7-15,10-21)8-16(24,6-11)9-15/h11,24H,3-9H2,1-2H3,(H,22,23).
What are the key properties of N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide?
N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide has a molecular weight of 344.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 21063661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).