tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate

C29H30N4O4 — CID 59407105

About tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate

tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 59407105) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate
• PubChem CID: 59407105
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCc1cccc(CNC(=O)c2cc3c(cn2)CC2(C3)C(=O)Nc3ccccc32)c1
• InChI: InChI=1S/C29H30N4O4/c1-28(2,3)37-27(36)32-16-19-8-6-7-18(11-19)15-31-25(34)24-12-20-13-29(14-21(20)17-30-24)22-9-4-5-10-23(22)33-26(29)35/h4-12,17H,13-16H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)
• InChIKey: NTIROEVUKXTBET-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 109.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate (CID 59407105) is tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(CNC(=O)c2cc3c(cn2)CC2(C3)C(=O)Nc3ccccc32)c1.

What is the InChIKey of tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate?

The InChIKey is NTIROEVUKXTBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-28(2,3)37-27(36)32-16-19-8-6-7-18(11-19)15-31-25(34)24-12-20-13-29(14-21(20)17-30-24)22-9-4-5-10-23(22)33-26(29)35/h4-12,17H,13-16H2,1-3H3,(H,31,34)(H,32,36)(H,33,35).

What are the key properties of tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate?

tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 498.58 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[[(2-oxospiro[1H-indole-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carbonyl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 59407105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).