tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C36H48N6O6 — CID 20711341

About tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 20711341) has the molecular formula C36H48N6O6 and a molecular weight of 660.82 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
• PubChem CID: 20711341
• Molecular Formula: C36H48N6O6
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.36
• IUPAC Name: tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
• SMILES: COc1ccc(C(C(=O)N2CCCC2)n2cc(NC(=O)C(CCCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn2)cc1
• InChI: InChI=1S/C36H48N6O6/c1-35(2,3)48-34(46)40-36(4,5)33(45)39-29(16-12-15-25-13-8-7-9-14-25)31(43)38-27-23-37-42(24-27)30(32(44)41-21-10-11-22-41)26-17-19-28(47-6)20-18-26/h7-9,13-14,17-20,23-24,29-30H,10-12,15-16,21-22H2,1-6H3,(H,38,43)(H,39,45)(H,40,46)
• InChIKey: HSLJCLDWCVWESJ-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 143.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 20711341) is tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is COc1ccc(C(C(=O)N2CCCC2)n2cc(NC(=O)C(CCCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn2)cc1.

What is the InChIKey of tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The InChIKey is HSLJCLDWCVWESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6O6/c1-35(2,3)48-34(46)40-36(4,5)33(45)39-29(16-12-15-25-13-8-7-9-14-25)31(43)38-27-23-37-42(24-27)30(32(44)41-21-10-11-22-41)26-17-19-28(47-6)20-18-26/h7-9,13-14,17-20,23-24,29-30H,10-12,15-16,21-22H2,1-6H3,(H,38,43)(H,39,45)(H,40,46).

What are the key properties of tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 660.82 g/mol, XLogP of 4.85, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[1-[[1-[1-(4-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]pyrazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 20711341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).