N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide

C31H34N4O6 — CID 24965392

About N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide

N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide (PubChem CID 24965392) has the molecular formula C31H34N4O6 and a molecular weight of 558.64 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide
• PubChem CID: 24965392
• Molecular Formula: C31H34N4O6
• Molecular Weight: 558.64 g/mol
• Exact Mass: 558.25
• IUPAC Name: N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide
• SMILES: CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C(=O)NCC(N)=O)ccc2O3)cc2c1c(C)cn2C1CC1
• InChI: InChI=1S/C31H34N4O6/c1-3-40-26-14-20(13-23-28(26)18(2)17-35(23)21-5-6-21)30(39)34-10-8-31(9-11-34)15-24(36)22-12-19(4-7-25(22)41-31)29(38)33-16-27(32)37/h4,7,12-14,17,21H,3,5-6,8-11,15-16H2,1-2H3,(H2,32,37)(H,33,38)
• InChIKey: CTQOCKWNBNCZNJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.64
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide?

The IUPAC name of N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide (CID 24965392) is N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide?

The canonical SMILES for N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C(=O)NCC(N)=O)ccc2O3)cc2c1c(C)cn2C1CC1.

What is the InChIKey of N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide?

The InChIKey is CTQOCKWNBNCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O6/c1-3-40-26-14-20(13-23-28(26)18(2)17-35(23)21-5-6-21)30(39)34-10-8-31(9-11-34)15-24(36)22-12-19(4-7-25(22)41-31)29(38)33-16-27(32)37/h4,7,12-14,17,21H,3,5-6,8-11,15-16H2,1-2H3,(H2,32,37)(H,33,38).

What are the key properties of N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide?

N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide has a molecular weight of 558.64 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 24965392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).