2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C26H28F3NO2 — CID 162564192

IUPAC2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOC1C2CC3CC1C(C2)C3(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C26H28F3NO2/c1-32-24-17-11-20-13-21(24)22(12-17)25(20,18-5-3-2-4-6-18)14-23(31)30-15-16-7-9-19(10-8-16)26(27,28)29/h2-10,17,20-22,24H,11-15H2,1H3,(H,30,31)
InChIKeyUXRXPABHOFMCGS-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.34
Rot. Bonds6

About 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 162564192) has the molecular formula C26H28F3NO2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID162564192
Molecular FormulaC26H28F3NO2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOC1C2CC3CC1C(C2)C3(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C26H28F3NO2/c1-32-24-17-11-20-13-21(24)22(12-17)25(20,18-5-3-2-4-6-18)14-23(31)30-15-16-7-9-19(10-8-16)26(27,28)29/h2-10,17,20-22,24H,11-15H2,1H3,(H,30,31)
InChIKeyUXRXPABHOFMCGS-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-[(2S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 58802663
2-(6-hydroxy-2-phenyl-2-adamantyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 59337281
(17S)-3-(ethoxymethyl)-N-[1-(4-fluorophenyl)propyl]-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 145442921
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 145442966
(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 91024979
2-[(3aR,5aR,5bR,9S,11aR,13aR)-9-(6-hydroxy-4,4-dimethylhepta-1,6-dien-2-yl)oxy-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]chrysen-3a-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143669524
(8R,10S,13S,17S)-3-(ethoxymethyl)-N-[(4-fluorophenyl)methyl]-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 145443020
(4R)-4-[(1R,4R,7R,9aS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}pentanamide
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CID 71590546
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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 162564192) is 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is COC1C2CC3CC1C(C2)C3(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is UXRXPABHOFMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3NO2/c1-32-24-17-11-20-13-21(24)22(12-17)25(20,18-5-3-2-4-6-18)14-23(31)30-15-16-7-9-19(10-8-16)26(27,28)29/h2-10,17,20-22,24H,11-15H2,1H3,(H,30,31).
What are the key properties of 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162564192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).