N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide

C105H151N15O11 — CID 159527891

About N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide

N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide (PubChem CID 159527891) has the molecular formula C105H151N15O11 and a molecular weight of 1799.46 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide
• PubChem CID: 159527891
• Molecular Formula: C105H151N15O11
• Molecular Weight: 1799.46 g/mol
• Exact Mass: 1798.17
• IUPAC Name: N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide
• SMILES: CCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CC1CCCN1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CC1CCCN1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CNCC1CCCN1
• InChI: InChI=1S/C105H151N15O11/c1-3-5-7-9-11-13-15-35-64-111(76-95(106)121)97(123)77-112(65-36-16-14-12-10-8-6-4-2)98(124)79-114(67-56-87-42-25-18-26-43-87)100(126)80-115(68-57-88-44-27-19-28-45-88)102(128)84-120(75-94-54-39-63-110-94)105(131)83-118(71-60-91-50-33-22-34-51-91)101(127)81-116(69-58-89-46-29-20-30-47-89)103(129)85-119(74-93-53-38-62-109-93)104(130)82-117(70-59-90-48-31-21-32-49-90)99(125)78-113(66-55-86-40-23-17-24-41-86)96(122)73-107-72-92-52-37-61-108-92/h17-34,40-51,92-94,107-110H,3-16,35-39,52-85H2,1-2H3,(H2,106,121)
• InChIKey: MCPOLRUQNZAZTE-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 294.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 64
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.46
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide?

The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide (CID 159527891) is N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide.

What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide?

The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide is CCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CC1CCCN1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CC1CCCN1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CNCC1CCCN1.

What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide?

The InChIKey is MCPOLRUQNZAZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H151N15O11/c1-3-5-7-9-11-13-15-35-64-111(76-95(106)121)97(123)77-112(65-36-16-14-12-10-8-6-4-2)98(124)79-114(67-56-87-42-25-18-26-43-87)100(126)80-115(68-57-88-44-27-19-28-45-88)102(128)84-120(75-94-54-39-63-110-94)105(131)83-118(71-60-91-50-33-22-34-51-91)101(127)81-116(69-58-89-46-29-20-30-47-89)103(129)85-119(74-93-53-38-62-109-93)104(130)82-117(70-59-90-48-31-21-32-49-90)99(125)78-113(66-55-86-40-23-17-24-41-86)96(122)73-107-72-92-52-37-61-108-92/h17-34,40-51,92-94,107-110H,3-16,35-39,52-85H2,1-2H3,(H2,106,121).

What are the key properties of N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide?

N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide has a molecular weight of 1799.46 g/mol, XLogP of 10.34, 64 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(pyrrolidin-2-ylmethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-phenylethyl)-2-(pyrrolidin-2-ylmethylamino)acetamide is sourced from PubChem (CID 159527891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).