2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide

C14H25NO5 — CID 162056308

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

About 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide

2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide (PubChem CID 162056308) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide
PubChem CID162056308
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide
SMILESC=C(C)C(=O)CCCOCCOCCNC(=O)COC
InChIInChI=1S/C14H25NO5/c1-12(2)13(16)5-4-7-19-9-10-20-8-6-15-14(17)11-18-3/h1,4-11H2,2-3H3,(H,15,17)
InChIKeyYZFOQDRXRPNNPJ-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide (CID 162056308) is 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide is C=C(C)C(=O)CCCOCCOCCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide?
The InChIKey is YZFOQDRXRPNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-12(2)13(16)5-4-7-19-9-10-20-8-6-15-14(17)11-18-3/h1,4-11H2,2-3H3,(H,15,17).
What are the key properties of 2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide?
2-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)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-methoxy-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 162056308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).