2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide

C25H31F3N2O2 — CID 70878782

IUPAC2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide
SMILESCCC(C)(C(NC(=O)c1c(C)cc(C(F)(F)F)cc1OC)c1ccccc1)N1CCCC1
InChIInChI=1S/C25H31F3N2O2/c1-5-24(3,30-13-9-10-14-30)22(18-11-7-6-8-12-18)29-23(31)21-17(2)15-19(25(26,27)28)16-20(21)32-4/h6-8,11-12,15-16,22H,5,9-10,13-14H2,1-4H3,(H,29,31)
InChIKeyWGRONGHZWPZOFQ-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.76
Rot. Bonds7

About 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide

2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide (PubChem CID 70878782) has the molecular formula C25H31F3N2O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide
PubChem CID70878782
Molecular FormulaC25H31F3N2O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide
SMILESCCC(C)(C(NC(=O)c1c(C)cc(C(F)(F)F)cc1OC)c1ccccc1)N1CCCC1
InChIInChI=1S/C25H31F3N2O2/c1-5-24(3,30-13-9-10-14-30)22(18-11-7-6-8-12-18)29-23(31)21-17(2)15-19(25(26,27)28)16-20(21)32-4/h6-8,11-12,15-16,22H,5,9-10,13-14H2,1-4H3,(H,29,31)
InChIKeyWGRONGHZWPZOFQ-UHFFFAOYSA-N
XLogP5.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide (CID 70878782) is 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide is CCC(C)(C(NC(=O)c1c(C)cc(C(F)(F)F)cc1OC)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide?
The InChIKey is WGRONGHZWPZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O2/c1-5-24(3,30-13-9-10-14-30)22(18-11-7-6-8-12-18)29-23(31)21-17(2)15-19(25(26,27)28)16-20(21)32-4/h6-8,11-12,15-16,22H,5,9-10,13-14H2,1-4H3,(H,29,31).
What are the key properties of 2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide?
2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide has a molecular weight of 448.53 g/mol, XLogP of 5.76, 7 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-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70878782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).