tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C35H43N7O5 — CID 22252894

About tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 22252894) has the molecular formula C35H43N7O5 and a molecular weight of 641.77 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
• PubChem CID: 22252894
• Molecular Formula: C35H43N7O5
• Molecular Weight: 641.77 g/mol
• Exact Mass: 641.33
• IUPAC Name: tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1
• InChI: InChI=1S/C35H43N7O5/c1-34(2,3)47-33(46)40-35(4,5)32(45)38-27(19-24-20-36-26-16-10-9-15-25(24)26)30(43)39-28-21-42(22-37-28)29(23-13-7-6-8-14-23)31(44)41-17-11-12-18-41/h6-10,13-16,20-22,27,29,36H,11-12,17-19H2,1-5H3,(H,38,45)(H,39,43)(H,40,46)
• InChIKey: WIMASAGKPTWZLK-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 150.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.77
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 22252894) is tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2)cn1.

What is the InChIKey of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The InChIKey is WIMASAGKPTWZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7O5/c1-34(2,3)47-33(46)40-35(4,5)32(45)38-27(19-24-20-36-26-16-10-9-15-25(24)26)30(43)39-28-21-42(22-37-28)29(23-13-7-6-8-14-23)31(44)41-17-11-12-18-41/h6-10,13-16,20-22,27,29,36H,11-12,17-19H2,1-5H3,(H,38,45)(H,39,43)(H,40,46).

What are the key properties of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 641.77 g/mol, XLogP of 4.55, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 22252894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).