tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate

C25H26F3N3O3 — CID 58433088

About tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate (PubChem CID 58433088) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
• PubChem CID: 58433088
• Molecular Formula: C25H26F3N3O3
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.19
• IUPAC Name: tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
• SMILES: CC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1
• InChI: InChI=1S/C25H26F3N3O3/c1-14(29-23(33)34-24(2,3)4)22(32)31-20-8-6-5-7-16(20)12-21(31)19-11-15-9-10-17(25(26,27)28)13-18(15)30-19/h5-10,13-14,21H,11-12H2,1-4H3,(H,29,33)
• InChIKey: DVRIJTUTCSSKHU-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate (CID 58433088) is tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1.

What is the InChIKey of tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?

The InChIKey is DVRIJTUTCSSKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-14(29-23(33)34-24(2,3)4)22(32)31-20-8-6-5-7-16(20)12-21(31)19-11-15-9-10-17(25(26,27)28)13-18(15)30-19/h5-10,13-14,21H,11-12H2,1-4H3,(H,29,33).

What are the key properties of tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate?

tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate has a molecular weight of 473.50 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 58433088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).