5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide

C41H47F3N2O3 — CID 21045786

About 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide (PubChem CID 21045786) has the molecular formula C41H47F3N2O3 and a molecular weight of 672.83 g/mol. Its IUPAC name is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide
• PubChem CID: 21045786
• Molecular Formula: C41H47F3N2O3
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.35
• IUPAC Name: 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide
• SMILES: Cc1cc2c(cc1Cc1ccc(C(=O)N(CCN3CCCC3)Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)o1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C41H47F3N2O3/c1-28-22-35-36(40(4,5)17-16-39(35,2)3)25-30(28)24-34-14-15-37(49-34)38(47)46(21-20-45-18-6-7-19-45)27-29-10-8-12-32(23-29)48-33-13-9-11-31(26-33)41(42,43)44/h8-15,22-23,25-26H,6-7,16-21,24,27H2,1-5H3
• InChIKey: YYCDSSSRPYNKOW-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide?

The IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide (CID 21045786) is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)N(CCN3CCCC3)Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)o1)C(C)(C)CCC2(C)C.

What is the InChIKey of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide?

The InChIKey is YYCDSSSRPYNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47F3N2O3/c1-28-22-35-36(40(4,5)17-16-39(35,2)3)25-30(28)24-34-14-15-37(49-34)38(47)46(21-20-45-18-6-7-19-45)27-29-10-8-12-32(23-29)48-33-13-9-11-31(26-33)41(42,43)44/h8-15,22-23,25-26H,6-7,16-21,24,27H2,1-5H3.

What are the key properties of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide?

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide has a molecular weight of 672.83 g/mol, XLogP of 10.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 21045786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).