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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide

C99H145N15O11 — CID 161054243

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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide (PubChem CID 161054243) has the molecular formula C99H145N15O11 and a molecular weight of 1721.34 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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide
• PubChem CID: 161054243
• Molecular Formula: C99H145N15O11
• Molecular Weight: 1721.34 g/mol
• Exact Mass: 1720.12
• 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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide
• SMILES: CCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCNC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCNC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CNCCNC
• InChI: InChI=1S/C99H145N15O11/c1-6-8-10-12-14-16-18-38-62-105(73-89(100)115)91(117)74-106(63-39-19-17-15-13-11-9-7-2)92(118)76-108(65-53-84-42-28-21-29-43-84)94(120)77-109(66-54-85-44-30-22-31-45-85)96(122)82-114(71-61-103-5)99(125)80-112(69-57-88-50-36-25-37-51-88)95(121)78-110(67-55-86-46-32-23-33-47-86)97(123)81-113(70-60-102-4)98(124)79-111(68-56-87-48-34-24-35-49-87)93(119)75-107(90(116)72-104-59-58-101-3)64-52-83-40-26-20-27-41-83/h20-37,40-51,101-104H,6-19,38-39,52-82H2,1-5H3,(H2,100,115)
• InChIKey: UCNLVNCDXDXDAV-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 294.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 67
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.34
LogP ≤ 5	8.74
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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide (CID 161054243) 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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide is CCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCNC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCNC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CNCCNC.

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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide?

The InChIKey is UCNLVNCDXDXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H145N15O11/c1-6-8-10-12-14-16-18-38-62-105(73-89(100)115)91(117)74-106(63-39-19-17-15-13-11-9-7-2)92(118)76-108(65-53-84-42-28-21-29-43-84)94(120)77-109(66-54-85-44-30-22-31-45-85)96(122)82-114(71-61-103-5)99(125)80-112(69-57-88-50-36-25-37-51-88)95(121)78-110(67-55-86-46-32-23-33-47-86)97(123)81-113(70-60-102-4)98(124)79-111(68-56-87-48-34-24-35-49-87)93(119)75-107(90(116)72-104-59-58-101-3)64-52-83-40-26-20-27-41-83/h20-37,40-51,101-104H,6-19,38-39,52-82H2,1-5H3,(H2,100,115).

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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 1721.34 g/mol, XLogP of 8.74, 67 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]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-[2-(methylamino)ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[2-(methylamino)ethylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 161054243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).