tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C33H40N4O6 — CID 19030466

About tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 19030466) has the molecular formula C33H40N4O6 and a molecular weight of 588.71 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)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-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
• PubChem CID: 19030466
• Molecular Formula: C33H40N4O6
• Molecular Weight: 588.71 g/mol
• Exact Mass: 588.29
• IUPAC Name: tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)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)N1CCC2(CC1)CC(=O)c1ccccc1O2
• InChI: InChI=1S/C33H40N4O6/c1-31(2,3)43-30(41)36-32(4,5)29(40)35-25(18-21-20-34-24-12-8-6-10-22(21)24)28(39)37-16-14-33(15-17-37)19-26(38)23-11-7-9-13-27(23)42-33/h6-13,20,25,34H,14-19H2,1-5H3,(H,35,40)(H,36,41)
• InChIKey: BFMXLLHTDXLVIZ-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 129.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)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-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 19030466) is tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)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-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)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-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)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)N1CCC2(CC1)CC(=O)c1ccccc1O2.

What is the InChIKey of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

The InChIKey is BFMXLLHTDXLVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O6/c1-31(2,3)43-30(41)36-32(4,5)29(40)35-25(18-21-20-34-24-12-8-6-10-22(21)24)28(39)37-16-14-33(15-17-37)19-26(38)23-11-7-9-13-27(23)42-33/h6-13,20,25,34H,14-19H2,1-5H3,(H,35,40)(H,36,41).

What are the key properties of tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?

tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 588.71 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 19030466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).