N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C32H42N6O6 — CID 156883547

About N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 156883547) has the molecular formula C32H42N6O6 and a molecular weight of 606.72 g/mol. Its IUPAC name is N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 156883547
• Molecular Formula: C32H42N6O6
• Molecular Weight: 606.72 g/mol
• Exact Mass: 606.32
• IUPAC Name: N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• SMILES: CC(=O)N1CCC2(CC1)CC(CC(NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc3ccccc3[nH]1)C(=O)C(N)=O)C(=O)N2
• InChI: InChI=1S/C32H42N6O6/c1-19(39)38-13-11-32(12-14-38)18-22(29(42)37-32)17-24(27(40)28(33)41)35-30(43)25(15-20-7-3-2-4-8-20)36-31(44)26-16-21-9-5-6-10-23(21)34-26/h5-6,9-10,16,20,22,24-25,34H,2-4,7-8,11-15,17-18H2,1H3,(H2,33,41)(H,35,43)(H,36,44)(H,37,42)/t22?,24?,25-/m1/s1
• InChIKey: VLLYWVFTLFNPTJ-PUOLSWATSA-N
• XLogP: 1.68
• TPSA: 183.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.72
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 156883547) is N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CC(=O)N1CCC2(CC1)CC(CC(NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc3ccccc3[nH]1)C(=O)C(N)=O)C(=O)N2.

What is the InChIKey of N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is VLLYWVFTLFNPTJ-PUOLSWATSA-N. The full InChI is InChI=1S/C32H42N6O6/c1-19(39)38-13-11-32(12-14-38)18-22(29(42)37-32)17-24(27(40)28(33)41)35-30(43)25(15-20-7-3-2-4-8-20)36-31(44)26-16-21-9-5-6-10-23(21)34-26/h5-6,9-10,16,20,22,24-25,34H,2-4,7-8,11-15,17-18H2,1H3,(H2,33,41)(H,35,43)(H,36,44)(H,37,42)/t22?,24?,25-/m1/s1.

What are the key properties of N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 606.72 g/mol, XLogP of 1.68, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 156883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).