N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide

C28H28F3N3O2 — CID 25100606

IUPACN-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide
SMILESCC(C)(C)NC(=O)C(C)(C)c1ccc2c(c1)cc(-c1ccc(OC(F)(F)F)cc1)n2-c1ccccn1
InChIInChI=1S/C28H28F3N3O2/c1-26(2,3)33-25(35)27(4,5)20-11-14-22-19(16-20)17-23(34(22)24-8-6-7-15-32-24)18-9-12-21(13-10-18)36-28(29,30)31/h6-17H,1-5H3,(H,33,35)
InChIKeyCGPSOKRJXBHKQU-UHFFFAOYSA-N
MW495.55 g/mol
LogP6.78
Rot. Bonds5

About N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide

N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide (PubChem CID 25100606) has the molecular formula C28H28F3N3O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide
PubChem CID25100606
Molecular FormulaC28H28F3N3O2
Molecular Weight495.55 g/mol
Exact Mass495.21
IUPAC NameN-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide
SMILESCC(C)(C)NC(=O)C(C)(C)c1ccc2c(c1)cc(-c1ccc(OC(F)(F)F)cc1)n2-c1ccccn1
InChIInChI=1S/C28H28F3N3O2/c1-26(2,3)33-25(35)27(4,5)20-11-14-22-19(16-20)17-23(34(22)24-8-6-7-15-32-24)18-9-12-21(13-10-18)36-28(29,30)31/h6-17H,1-5H3,(H,33,35)
InChIKeyCGPSOKRJXBHKQU-UHFFFAOYSA-N
XLogP6.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide?
The IUPAC name of N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide (CID 25100606) is N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide is CC(C)(C)NC(=O)C(C)(C)c1ccc2c(c1)cc(-c1ccc(OC(F)(F)F)cc1)n2-c1ccccn1.
What is the InChIKey of N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide?
The InChIKey is CGPSOKRJXBHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O2/c1-26(2,3)33-25(35)27(4,5)20-11-14-22-19(16-20)17-23(34(22)24-8-6-7-15-32-24)18-9-12-21(13-10-18)36-28(29,30)31/h6-17H,1-5H3,(H,33,35).
What are the key properties of N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide?
N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide has a molecular weight of 495.55 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-[1-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]indol-5-yl]propanamide is sourced from PubChem (CID 25100606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).