6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

C30H44N6O7 — CID 170038712

About 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide (PubChem CID 170038712) has the molecular formula C30H44N6O7 and a molecular weight of 600.72 g/mol. Its IUPAC name is 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

• Compound Name: 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• PubChem CID: 170038712
• Molecular Formula: C30H44N6O7
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.33
• IUPAC Name: 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• SMILES: CCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O
• InChI: InChI=1S/C30H44N6O7/c1-4-31-25(38)18-34-29(42)23(15-21-11-7-5-8-12-21)35-27(40)19-33-26(39)17-32-24(37)13-9-6-10-14-36-28(41)16-22(20(2)3)30(36)43/h5,7-8,11-12,20,22-23H,4,6,9-10,13-19H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,34,42)(H,35,40)
• InChIKey: KJFOEEFCQXEBEJ-UHFFFAOYSA-N
• XLogP: -0.21
• TPSA: 182.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	-0.21
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-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

The IUPAC name of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide (CID 170038712) is 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

What is the SMILES notation for 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

The canonical SMILES for 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide is CCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O.

What is the InChIKey of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

The InChIKey is KJFOEEFCQXEBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O7/c1-4-31-25(38)18-34-29(42)23(15-21-11-7-5-8-12-21)35-27(40)19-33-26(39)17-32-24(37)13-9-6-10-14-36-28(41)16-22(20(2)3)30(36)43/h5,7-8,11-12,20,22-23H,4,6,9-10,13-19H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,34,42)(H,35,40).

What are the key properties of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide?

6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 600.72 g/mol, XLogP of -0.21, 18 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-[[2-[[1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 170038712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).