2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide

C22H39NO8 — CID 177015184

IUPAC2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)CCOCCOCCOCCOCC(=O)NCCOCCOCC(=O)C(=C)C
InChIInChI=1S/C22H39NO8/c1-19(2)5-7-26-9-10-28-11-12-29-14-16-31-18-22(25)23-6-8-27-13-15-30-17-21(24)20(3)4/h1,3,5-18H2,2,4H3,(H,23,25)
InChIKeyMMNPXWUCJPZOFK-UHFFFAOYSA-N
MW445.55 g/mol
LogP1.31
Rot. Bonds23

About 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide

2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide (PubChem CID 177015184) has the molecular formula C22H39NO8 and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
PubChem CID177015184
Molecular FormulaC22H39NO8
Molecular Weight445.55 g/mol
Exact Mass445.27
IUPAC Name2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)CCOCCOCCOCCOCC(=O)NCCOCCOCC(=O)C(=C)C
InChIInChI=1S/C22H39NO8/c1-19(2)5-7-26-9-10-28-11-12-29-14-16-31-18-22(25)23-6-8-27-13-15-30-17-21(24)20(3)4/h1,3,5-18H2,2,4H3,(H,23,25)
InChIKeyMMNPXWUCJPZOFK-UHFFFAOYSA-N
XLogP1.31
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide (CID 177015184) is 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide is C=C(C)CCOCCOCCOCCOCC(=O)NCCOCCOCC(=O)C(=C)C.
What is the InChIKey of 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
The InChIKey is MMNPXWUCJPZOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO8/c1-19(2)5-7-26-9-10-28-11-12-29-14-16-31-18-22(25)23-6-8-27-13-15-30-17-21(24)20(3)4/h1,3,5-18H2,2,4H3,(H,23,25).
What are the key properties of 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide?
2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 1.31, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-(3-methyl-2-oxobut-3-enoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 177015184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).