3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide

C85H136N12O24 — CID 170280768

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide (PubChem CID 170280768) has the molecular formula C85H136N12O24 and a molecular weight of 1710.08 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide
• PubChem CID: 170280768
• Molecular Formula: C85H136N12O24
• Molecular Weight: 1710.08 g/mol
• Exact Mass: 1708.98
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide
• SMILES: CC(C)(CNC(=O)CCOCC(COCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)(COCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)COCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C85H136N12O24/c1-77(2,41-86-61(98)25-33-94-69(106)17-18-70(94)107)49-118-53-81(9,10)45-90-65(102)29-37-114-57-85(58-115-38-30-66(103)91-46-82(11,12)54-119-50-78(3,4)42-87-62(99)26-34-95-71(108)19-20-72(95)109,59-116-39-31-67(104)92-47-83(13,14)55-120-51-79(5,6)43-88-63(100)27-35-96-73(110)21-22-74(96)111)60-117-40-32-68(105)93-48-84(15,16)56-121-52-80(7,8)44-89-64(101)28-36-97-75(112)23-24-76(97)113/h17-24H,25-60H2,1-16H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H,93,105)
• InChIKey: PMNYINHQRKDPKF-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 456.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 64
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.08
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide (CID 170280768) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide is CC(C)(CNC(=O)CCOCC(COCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)(COCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)COCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide?

The InChIKey is PMNYINHQRKDPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H136N12O24/c1-77(2,41-86-61(98)25-33-94-69(106)17-18-70(94)107)49-118-53-81(9,10)45-90-65(102)29-37-114-57-85(58-115-38-30-66(103)91-46-82(11,12)54-119-50-78(3,4)42-87-62(99)26-34-95-71(108)19-20-72(95)109,59-116-39-31-67(104)92-47-83(13,14)55-120-51-79(5,6)43-88-63(100)27-35-96-73(110)21-22-74(96)111)60-117-40-32-68(105)93-48-84(15,16)56-121-52-80(7,8)44-89-64(101)28-36-97-75(112)23-24-76(97)113/h17-24H,25-60H2,1-16H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H,93,105).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide has a molecular weight of 1710.08 g/mol, XLogP of 2.07, 64 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 170280768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).