4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide

C29H40N4O5 — CID 156883667

About 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide

4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 156883667) has the molecular formula C29H40N4O5 and a molecular weight of 524.66 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 156883667
• Molecular Formula: C29H40N4O5
• Molecular Weight: 524.66 g/mol
• Exact Mass: 524.30
• IUPAC Name: 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(C=O)CC3CC4(CCCCC4)NC3=O)cc12
• InChI: InChI=1S/C29H40N4O5/c1-18(2)13-24(33(3)28(37)23-15-21-22(31-23)9-8-10-25(21)38-4)27(36)30-20(17-34)14-19-16-29(32-26(19)35)11-6-5-7-12-29/h8-10,15,17-20,24,31H,5-7,11-14,16H2,1-4H3,(H,30,36)(H,32,35)/t19?,20?,24-/m0/s1
• InChIKey: IJBURPAZOZALML-IMQCZEGASA-N
• XLogP: 3.58
• TPSA: 120.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.66
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide (CID 156883667) is 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(C=O)CC3CC4(CCCCC4)NC3=O)cc12.

What is the InChIKey of 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is IJBURPAZOZALML-IMQCZEGASA-N. The full InChI is InChI=1S/C29H40N4O5/c1-18(2)13-24(33(3)28(37)23-15-21-22(31-23)9-8-10-25(21)38-4)27(36)30-20(17-34)14-19-16-29(32-26(19)35)11-6-5-7-12-29/h8-10,15,17-20,24,31H,5-7,11-14,16H2,1-4H3,(H,30,36)(H,32,35)/t19?,20?,24-/m0/s1.

What are the key properties of 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?

4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 524.66 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-methyl-N-[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 156883667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).