4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide

C16H24F3NO2 — CID 90624189

IUPAC4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide
SMILESCOC1(CNC(=O)CCC(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24F3NO2/c1-22-15(9-20-14(21)2-3-16(17,18)19)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyQGCCMXUYTRCQOW-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.29
Rot. Bonds5

About 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide

4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide (PubChem CID 90624189) has the molecular formula C16H24F3NO2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide
PubChem CID90624189
Molecular FormulaC16H24F3NO2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide
SMILESCOC1(CNC(=O)CCC(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24F3NO2/c1-22-15(9-20-14(21)2-3-16(17,18)19)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyQGCCMXUYTRCQOW-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide (CID 90624189) is 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide is COC1(CNC(=O)CCC(F)(F)F)C2CC3CC(C2)CC1C3.
What is the InChIKey of 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide?
The InChIKey is QGCCMXUYTRCQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO2/c1-22-15(9-20-14(21)2-3-16(17,18)19)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,2-9H2,1H3,(H,20,21).
What are the key properties of 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide?
4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide has a molecular weight of 319.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2-methoxy-2-adamantyl)methyl]butanamide is sourced from PubChem (CID 90624189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).