6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

C34H52N6O7 — CID 177087448

About 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide (PubChem CID 177087448) has the molecular formula C34H52N6O7 and a molecular weight of 656.83 g/mol. Its IUPAC name is 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

• Compound Name: 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• PubChem CID: 177087448
• Molecular Formula: C34H52N6O7
• Molecular Weight: 656.83 g/mol
• Exact Mass: 656.39
• IUPAC Name: 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• SMILES: CC(C)(C)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C(C)(C)C)C1=O
• InChI: InChI=1S/C34H52N6O7/c1-33(2,3)22-38-28(43)20-37-31(46)25(17-23-13-9-7-10-14-23)39-29(44)21-36-27(42)19-35-26(41)15-11-8-12-16-40-30(45)18-24(32(40)47)34(4,5)6/h7,9-10,13-14,24-25H,8,11-12,15-22H2,1-6H3,(H,35,41)(H,36,42)(H,37,46)(H,38,43)(H,39,44)
• InChIKey: MFEWJPNFECDNLH-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 182.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.83
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

The IUPAC name of 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide (CID 177087448) is 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

What is the SMILES notation for 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

The canonical SMILES for 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide is CC(C)(C)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C(C)(C)C)C1=O.

What is the InChIKey of 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

The InChIKey is MFEWJPNFECDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N6O7/c1-33(2,3)22-38-28(43)20-37-31(46)25(17-23-13-9-7-10-14-23)39-29(44)21-36-27(42)19-35-26(41)15-11-8-12-16-40-30(45)18-24(32(40)47)34(4,5)6/h7,9-10,13-14,24-25H,8,11-12,15-22H2,1-6H3,(H,35,41)(H,36,42)(H,37,46)(H,38,43)(H,39,44).

What are the key properties of 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 656.83 g/mol, XLogP of 1.21, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 177087448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).