2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide

C24H27F3N2O2 — CID 54767607

IUPAC2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@]1(c2ccccc2)CC[C@@H]2CC[C@@H]1N2C
InChIInChI=1S/C24H27F3N2O2/c1-15-13-17(24(25,26)27)14-19(31-3)21(15)22(30)28-23(16-7-5-4-6-8-16)12-11-18-9-10-20(23)29(18)2/h4-8,13-14,18,20H,9-12H2,1-3H3,(H,28,30)/t18-,20-,23-/m0/s1
InChIKeyMZMQHGGKKVLCJM-LEDOBFOHSA-N
MW432.49 g/mol
LogP4.90
Rot. Bonds4

About 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide

2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 54767607) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID54767607
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@]1(c2ccccc2)CC[C@@H]2CC[C@@H]1N2C
InChIInChI=1S/C24H27F3N2O2/c1-15-13-17(24(25,26)27)14-19(31-3)21(15)22(30)28-23(16-7-5-4-6-8-16)12-11-18-9-10-20(23)29(18)2/h4-8,13-14,18,20H,9-12H2,1-3H3,(H,28,30)/t18-,20-,23-/m0/s1
InChIKeyMZMQHGGKKVLCJM-LEDOBFOHSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide 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 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide (CID 54767607) is 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@]1(c2ccccc2)CC[C@@H]2CC[C@@H]1N2C.
What is the InChIKey of 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is MZMQHGGKKVLCJM-LEDOBFOHSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-15-13-17(24(25,26)27)14-19(31-3)21(15)22(30)28-23(16-7-5-4-6-8-16)12-11-18-9-10-20(23)29(18)2/h4-8,13-14,18,20H,9-12H2,1-3H3,(H,28,30)/t18-,20-,23-/m0/s1.
What are the key properties of 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide?
2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 432.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54767607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).