N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide

C45H90N2O14 — CID 155215014

IUPACN-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILESCC(C)OCCOCCOCCOCCOCC(=O)NC(C)(C)CCC(C)(C)OCCOCCOCCOC(C)(C)CCC(C)(C)NC(=O)COCCOCCOC(C)(C)C
InChIInChI=1S/C45H90N2O14/c1-38(2)58-32-28-52-21-20-50-18-19-51-24-26-56-36-39(48)46-42(6,7)14-16-44(10,11)60-34-30-53-22-23-54-31-35-61-45(12,13)17-15-43(8,9)47-40(49)37-57-27-25-55-29-33-59-41(3,4)5/h38H,14-37H2,1-13H3,(H,46,48)(H,47,49)
InChIKeyRSWKCXBDLCJDFH-UHFFFAOYSA-N
MW883.21 g/mol
LogP5.30
Rot. Bonds42

About N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide

N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 155215014) has the molecular formula C45H90N2O14 and a molecular weight of 883.21 g/mol. Its IUPAC name is N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
PubChem CID155215014
Molecular FormulaC45H90N2O14
Molecular Weight883.21 g/mol
Exact Mass882.64
IUPAC NameN-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILESCC(C)OCCOCCOCCOCCOCC(=O)NC(C)(C)CCC(C)(C)OCCOCCOCCOC(C)(C)CCC(C)(C)NC(=O)COCCOCCOC(C)(C)C
InChIInChI=1S/C45H90N2O14/c1-38(2)58-32-28-52-21-20-50-18-19-51-24-26-56-36-39(48)46-42(6,7)14-16-44(10,11)60-34-30-53-22-23-54-31-35-61-45(12,13)17-15-43(8,9)47-40(49)37-57-27-25-55-29-33-59-41(3,4)5/h38H,14-37H2,1-13H3,(H,46,48)(H,47,49)
InChIKeyRSWKCXBDLCJDFH-UHFFFAOYSA-N
XLogP5.30
TPSA168.96 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.21
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide (CID 155215014) is N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide is CC(C)OCCOCCOCCOCCOCC(=O)NC(C)(C)CCC(C)(C)OCCOCCOCCOC(C)(C)CCC(C)(C)NC(=O)COCCOCCOC(C)(C)C.
What is the InChIKey of N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is RSWKCXBDLCJDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H90N2O14/c1-38(2)58-32-28-52-21-20-50-18-19-51-24-26-56-36-39(48)46-42(6,7)14-16-44(10,11)60-34-30-53-22-23-54-31-35-61-45(12,13)17-15-43(8,9)47-40(49)37-57-27-25-55-29-33-59-41(3,4)5/h38H,14-37H2,1-13H3,(H,46,48)(H,47,49).
What are the key properties of N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide?
N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 883.21 g/mol, XLogP of 5.30, 42 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-[2-[2,5-dimethyl-5-[[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetyl]amino]hexan-2-yl]oxyethoxy]ethoxy]ethoxy]-2,5-dimethylhexan-2-yl]-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 155215014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).