2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

C84H124F6N8O25 — CID 58421295

IUPAC2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESNCC(=O)CCC(COCC(=O)N(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C84H124F6N8O25/c85-83(86,87)67-82(68-84(88,89)90,22-21-74(99)55-91)69-123-66-81(106)98(60-79(104)96(56-75(100)92-23-27-107-31-35-111-39-43-115-47-51-119-62-70-13-5-1-6-14-70)57-76(101)93-24-28-108-32-36-112-40-44-116-48-52-120-63-71-15-7-2-8-16-71)61-80(105)97(58-77(102)94-25-29-109-33-37-113-41-45-117-49-53-121-64-72-17-9-3-10-18-72)59-78(103)95-26-30-110-34-38-114-42-46-118-50-54-122-65-73-19-11-4-12-20-73/h1-20H,21-69,91H2,(H,92,100)(H,93,101)(H,94,102)(H,95,103)
InChIKeyXJKIOQZURFCERC-UHFFFAOYSA-N
MW1759.93 g/mol
LogP4.22
Rot. Bonds78

About 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 58421295) has the molecular formula C84H124F6N8O25 and a molecular weight of 1759.93 g/mol. Its IUPAC name is 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
PubChem CID58421295
Molecular FormulaC84H124F6N8O25
Molecular Weight1759.93 g/mol
Exact Mass1758.86
IUPAC Name2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESNCC(=O)CCC(COCC(=O)N(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C84H124F6N8O25/c85-83(86,87)67-82(68-84(88,89)90,22-21-74(99)55-91)69-123-66-81(106)98(60-79(104)96(56-75(100)92-23-27-107-31-35-111-39-43-115-47-51-119-62-70-13-5-1-6-14-70)57-76(101)93-24-28-108-32-36-112-40-44-116-48-52-120-63-71-15-7-2-8-16-71)61-80(105)97(58-77(102)94-25-29-109-33-37-113-41-45-117-49-53-121-64-72-17-9-3-10-18-72)59-78(103)95-26-30-110-34-38-114-42-46-118-50-54-122-65-73-19-11-4-12-20-73/h1-20H,21-69,91H2,(H,92,100)(H,93,101)(H,94,102)(H,95,103)
InChIKeyXJKIOQZURFCERC-UHFFFAOYSA-N
XLogP4.22
TPSA377.33 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds78
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001759.93
LogP ≤ 54.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (CID 58421295) is 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is NCC(=O)CCC(COCC(=O)N(CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)N(CC(=O)NCCOCCOCCOCCOCc1ccccc1)CC(=O)NCCOCCOCCOCCOCc1ccccc1)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is XJKIOQZURFCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H124F6N8O25/c85-83(86,87)67-82(68-84(88,89)90,22-21-74(99)55-91)69-123-66-81(106)98(60-79(104)96(56-75(100)92-23-27-107-31-35-111-39-43-115-47-51-119-62-70-13-5-1-6-14-70)57-76(101)93-24-28-108-32-36-112-40-44-116-48-52-120-63-71-15-7-2-8-16-71)61-80(105)97(58-77(102)94-25-29-109-33-37-113-41-45-117-49-53-121-64-72-17-9-3-10-18-72)59-78(103)95-26-30-110-34-38-114-42-46-118-50-54-122-65-73-19-11-4-12-20-73/h1-20H,21-69,91H2,(H,92,100)(H,93,101)(H,94,102)(H,95,103).
What are the key properties of 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 1759.93 g/mol, XLogP of 4.22, 78 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[6-amino-5-oxo-2,2-bis(2,2,2-trifluoroethyl)hexoxy]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 58421295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).