3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide

C14H27NO2 — CID 123929607

IUPAC3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide
SMILESCC=CCCC(CC(=O)NC(C)C(C)C)OC
InChIInChI=1S/C14H27NO2/c1-6-7-8-9-13(17-5)10-14(16)15-12(4)11(2)3/h6-7,11-13H,8-10H2,1-5H3,(H,15,16)
InChIKeyRYAGUQKHKNXTMS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.91
Rot. Bonds8

About 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide

3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide (PubChem CID 123929607) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide
PubChem CID123929607
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide
SMILESCC=CCCC(CC(=O)NC(C)C(C)C)OC
InChIInChI=1S/C14H27NO2/c1-6-7-8-9-13(17-5)10-14(16)15-12(4)11(2)3/h6-7,11-13H,8-10H2,1-5H3,(H,15,16)
InChIKeyRYAGUQKHKNXTMS-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide?
The IUPAC name of 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide (CID 123929607) is 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide.
What is the SMILES notation for 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide?
The canonical SMILES for 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide is CC=CCCC(CC(=O)NC(C)C(C)C)OC.
What is the InChIKey of 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide?
The InChIKey is RYAGUQKHKNXTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-7-8-9-13(17-5)10-14(16)15-12(4)11(2)3/h6-7,11-13H,8-10H2,1-5H3,(H,15,16).
What are the key properties of 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide?
3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide is sourced from PubChem (CID 123929607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).