N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide

C28H57NO8 — CID 175629276

IUPACN-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide
SMILESCC(C)(CCC(C)(C)OCCOCCOCCOC(C)(C)C)NC(=O)COCCOCCOC(C)(C)C
InChIInChI=1S/C28H57NO8/c1-25(2,3)35-20-17-31-13-14-32-19-22-37-28(9,10)12-11-27(7,8)29-24(30)23-34-16-15-33-18-21-36-26(4,5)6/h11-23H2,1-10H3,(H,29,30)
InChIKeyNYYUQSCQERYDBY-UHFFFAOYSA-N
MW535.76 g/mol
LogP4.15
Rot. Bonds22

About N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide

N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide (PubChem CID 175629276) has the molecular formula C28H57NO8 and a molecular weight of 535.76 g/mol. Its IUPAC name is N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide
PubChem CID175629276
Molecular FormulaC28H57NO8
Molecular Weight535.76 g/mol
Exact Mass535.41
IUPAC NameN-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide
SMILESCC(C)(CCC(C)(C)OCCOCCOCCOC(C)(C)C)NC(=O)COCCOCCOC(C)(C)C
InChIInChI=1S/C28H57NO8/c1-25(2,3)35-20-17-31-13-14-32-19-22-37-28(9,10)12-11-27(7,8)29-24(30)23-34-16-15-33-18-21-36-26(4,5)6/h11-23H2,1-10H3,(H,29,30)
InChIKeyNYYUQSCQERYDBY-UHFFFAOYSA-N
XLogP4.15
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide (CID 175629276) is N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide is CC(C)(CCC(C)(C)OCCOCCOCCOC(C)(C)C)NC(=O)COCCOCCOC(C)(C)C.
What is the InChIKey of N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide?
The InChIKey is NYYUQSCQERYDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO8/c1-25(2,3)35-20-17-31-13-14-32-19-22-37-28(9,10)12-11-27(7,8)29-24(30)23-34-16-15-33-18-21-36-26(4,5)6/h11-23H2,1-10H3,(H,29,30).
What are the key properties of N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide?
N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide has a molecular weight of 535.76 g/mol, XLogP of 4.15, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-5-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 175629276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).