3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide

C21H43NO6 — CID 168855323

IUPAC3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
SMILESCC(C)(C)CNC(=O)CCOCCOCCOCCOCCOCC(C)(C)C
InChIInChI=1S/C21H43NO6/c1-20(2,3)17-22-19(23)7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-18-21(4,5)6/h7-18H2,1-6H3,(H,22,23)
InChIKeyYMAKRTTXYGIVII-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.67
Rot. Bonds17

About 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide

3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide (PubChem CID 168855323) has the molecular formula C21H43NO6 and a molecular weight of 405.58 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
PubChem CID168855323
Molecular FormulaC21H43NO6
Molecular Weight405.58 g/mol
Exact Mass405.31
IUPAC Name3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
SMILESCC(C)(C)CNC(=O)CCOCCOCCOCCOCCOCC(C)(C)C
InChIInChI=1S/C21H43NO6/c1-20(2,3)17-22-19(23)7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-18-21(4,5)6/h7-18H2,1-6H3,(H,22,23)
InChIKeyYMAKRTTXYGIVII-UHFFFAOYSA-N
XLogP2.67
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855341
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
CID 134387196
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 167096270
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155459719
6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhex-4-enamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hex-4-enamide
CID 159724383
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
1-[2-(2,2-dimethylpropoxy)ethoxy]-6-(methylamino)hexan-3-one
CID 159676352

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
The IUPAC name of 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide (CID 168855323) is 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide is CC(C)(C)CNC(=O)CCOCCOCCOCCOCCOCC(C)(C)C.
What is the InChIKey of 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
The InChIKey is YMAKRTTXYGIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO6/c1-20(2,3)17-22-19(23)7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-18-21(4,5)6/h7-18H2,1-6H3,(H,22,23).
What are the key properties of 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide has a molecular weight of 405.58 g/mol, XLogP of 2.67, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide is sourced from PubChem (CID 168855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).