2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C26H28F3NO2 — CID 59337281

IUPAC2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H28F3NO2/c27-26(28,29)20-8-6-16(7-9-20)15-30-23(31)14-25(19-4-2-1-3-5-19)21-10-17-11-22(25)13-18(12-21)24(17)32/h1-9,17-18,21-22,24,32H,10-15H2,(H,30,31)
InChIKeyBFDDDQAGBJRZGK-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.08
Rot. Bonds5

About 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 59337281) has the molecular formula C26H28F3NO2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID59337281
Molecular FormulaC26H28F3NO2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H28F3NO2/c27-26(28,29)20-8-6-16(7-9-20)15-30-23(31)14-25(19-4-2-1-3-5-19)21-10-17-11-22(25)13-18(12-21)24(17)32/h1-9,17-18,21-22,24,32H,10-15H2,(H,30,31)
InChIKeyBFDDDQAGBJRZGK-UHFFFAOYSA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide 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

2-[(1R,3S,5R,7S)-2-[4-(4-Fluorophenyl)phenyl]-6-hydroxyadamantan-2-YL]-1-(3-hydroxyazetidin-1-YL)ethan-1-one
CID 131750120
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenylcyclohexane-1-carboxamide
CID 145982955
1-(3-Hydroxyazetidin-1-yl)-2-[6-hydroxy-2-[4-(trifluoromethyl)phenyl]-2-adamantyl]ethanone
CID 137650452
2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 38030074
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-N-benzyl-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxamide
CID 44563343
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide
CID 54757284
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-N-benzyl-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxamide
CID 145949664
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxamide
CID 145970750
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145979181
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-benzyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide
CID 10165960
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(hydroxymethyl)-1-phenylcyclohexane-1-carboxamide
CID 22293461
N-benzyl-2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanamide
CID 44265425

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 59337281) is 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is BFDDDQAGBJRZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3NO2/c27-26(28,29)20-8-6-16(7-9-20)15-30-23(31)14-25(19-4-2-1-3-5-19)21-10-17-11-22(25)13-18(12-21)24(17)32/h1-9,17-18,21-22,24,32H,10-15H2,(H,30,31).
What are the key properties of 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 59337281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).