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

C11H21NO3 — CID 167103065

IUPACN-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)CCOCCOCCNC(C)=O
InChIInChI=1S/C11H21NO3/c1-10(2)4-6-14-8-9-15-7-5-12-11(3)13/h1,4-9H2,2-3H3,(H,12,13)
InChIKeyUZSBOALPSMXROE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds9

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

N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide (PubChem CID 167103065) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide
PubChem CID167103065
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)CCOCCOCCNC(C)=O
InChIInChI=1S/C11H21NO3/c1-10(2)4-6-14-8-9-15-7-5-12-11(3)13/h1,4-9H2,2-3H3,(H,12,13)
InChIKeyUZSBOALPSMXROE-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide (CID 167103065) is N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide is C=C(C)CCOCCOCCNC(C)=O.
What is the InChIKey of N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide?
The InChIKey is UZSBOALPSMXROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2)4-6-14-8-9-15-7-5-12-11(3)13/h1,4-9H2,2-3H3,(H,12,13).
What are the key properties of N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide?
N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide has a molecular weight of 215.29 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 167103065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).