2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide

C25H29F3N2O2 — CID 54767779

IUPAC2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)cc(OC)c1C(=O)NC1(c2ccccc2)CCC2CCC1N2C
InChIInChI=1S/C25H29F3N2O2/c1-4-16-14-18(25(26,27)28)15-20(32-3)22(16)23(31)29-24(17-8-6-5-7-9-17)13-12-19-10-11-21(24)30(19)2/h5-9,14-15,19,21H,4,10-13H2,1-3H3,(H,29,31)
InChIKeyZJYMQOCZQGTRKM-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.16
Rot. Bonds5

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

2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 54767779) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID54767779
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Name2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)cc(OC)c1C(=O)NC1(c2ccccc2)CCC2CCC1N2C
InChIInChI=1S/C25H29F3N2O2/c1-4-16-14-18(25(26,27)28)15-20(32-3)22(16)23(31)29-24(17-8-6-5-7-9-17)13-12-19-10-11-21(24)30(19)2/h5-9,14-15,19,21H,4,10-13H2,1-3H3,(H,29,31)
InChIKeyZJYMQOCZQGTRKM-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-6-methoxy-N-(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-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide (CID 54767779) is 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide is CCc1cc(C(F)(F)F)cc(OC)c1C(=O)NC1(c2ccccc2)CCC2CCC1N2C.
What is the InChIKey of 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZJYMQOCZQGTRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c1-4-16-14-18(25(26,27)28)15-20(32-3)22(16)23(31)29-24(17-8-6-5-7-9-17)13-12-19-10-11-21(24)30(19)2/h5-9,14-15,19,21H,4,10-13H2,1-3H3,(H,29,31).
What are the key properties of 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide?
2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 446.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54767779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).