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

C14H25NO5 — CID 176553832

IUPAC2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)CCOCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C14H25NO5/c1-12(2)4-6-19-11-14(17)15-5-7-18-8-9-20-10-13(3)16/h1,4-11H2,2-3H3,(H,15,17)
InChIKeyLXTQJRDJGWBXIC-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.71
Rot. Bonds13

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

2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide (PubChem CID 176553832) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
PubChem CID176553832
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)CCOCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C14H25NO5/c1-12(2)4-6-19-11-14(17)15-5-7-18-8-9-20-10-13(3)16/h1,4-11H2,2-3H3,(H,15,17)
InChIKeyLXTQJRDJGWBXIC-UHFFFAOYSA-N
XLogP0.71
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide (CID 176553832) is 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide is C=C(C)CCOCC(=O)NCCOCCOCC(C)=O.
What is the InChIKey of 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
The InChIKey is LXTQJRDJGWBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-12(2)4-6-19-11-14(17)15-5-7-18-8-9-20-10-13(3)16/h1,4-11H2,2-3H3,(H,15,17).
What are the key properties of 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide?
2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 0.71, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 176553832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).