N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide

C89H161N7O19 — CID 170126122

About N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide

N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide (PubChem CID 170126122) has the molecular formula C89H161N7O19 and a molecular weight of 1633.30 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
• PubChem CID: 170126122
• Molecular Formula: C89H161N7O19
• Molecular Weight: 1633.30 g/mol
• Exact Mass: 1632.18
• IUPAC Name: N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
• SMILES: CCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CC(C)(C)COCC(C)(C)CNC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)NCC(C)(C)COCC(C)(C)CC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)C(C)(C)CCC(C)(C)C)C(=O)c1ccc(C#CC(C)C)cc1
• InChI: InChI=1S/C89H161N7O19/c1-25-73(97)90-56-83(11,12)66-114-67-86(17,18)59-93-76(100)54-81(7,8)62-112-64-84(13,14)57-91-74(98)32-38-104-42-46-108-50-52-110-48-44-106-40-36-96(78(102)72-30-28-71(29-31-72)27-26-70(2)3)37-41-107-45-49-111-53-51-109-47-43-105-39-33-75(99)92-58-85(15,16)65-113-63-82(9,10)55-77(101)94-60-87(19,20)68-115-69-88(21,22)61-95-79(103)89(23,24)35-34-80(4,5)6/h28-31,70H,25,32-69H2,1-24H3,(H,90,97)(H,91,98)(H,92,99)(H,93,100)(H,94,101)(H,95,103)
• InChIKey: ORZZMTSPEYUOKE-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 305.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 67
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1633.30
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?

The IUPAC name of N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide (CID 170126122) is N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide.

What is the SMILES notation for N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?

The canonical SMILES for N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide is CCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CC(C)(C)COCC(C)(C)CNC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)NCC(C)(C)COCC(C)(C)CC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)C(C)(C)CCC(C)(C)C)C(=O)c1ccc(C#CC(C)C)cc1.

What is the InChIKey of N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?

The InChIKey is ORZZMTSPEYUOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H161N7O19/c1-25-73(97)90-56-83(11,12)66-114-67-86(17,18)59-93-76(100)54-81(7,8)62-112-64-84(13,14)57-91-74(98)32-38-104-42-46-108-50-52-110-48-44-106-40-36-96(78(102)72-30-28-71(29-31-72)27-26-70(2)3)37-41-107-45-49-111-53-51-109-47-43-105-39-33-75(99)92-58-85(15,16)65-113-63-82(9,10)55-77(101)94-60-87(19,20)68-115-69-88(21,22)61-95-79(103)89(23,24)35-34-80(4,5)6/h28-31,70H,25,32-69H2,1-24H3,(H,90,97)(H,91,98)(H,92,99)(H,93,100)(H,94,101)(H,95,103).

What are the key properties of N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?

N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide has a molecular weight of 1633.30 g/mol, XLogP of 11.07, 67 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(propanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[3-[[3-[4-[[3-[2,2-dimethyl-3-(2,2,5,5-tetramethylhexanoylamino)propoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide is sourced from PubChem (CID 170126122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).