(7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide

C₁₄H₂₅NO₃ — CID 138511692

About (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide

(7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide (PubChem CID 138511692) has the molecular formula C₁₄H₂₅NO₃ and a molecular weight of 255.36 g/mol. Its IUPAC name is (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide.

Molecular Properties

• Compound Name: (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide
• PubChem CID: 138511692
• Molecular Formula: C₁₄H₂₅NO₃
• Molecular Weight: 255.36 g/mol
• Exact Mass: 255.18
• IUPAC Name: (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide
• SMILES: C/C=C(OC)\C(=C/CCCCCC(=O)NC)OC
• InChI: InChI=1S/C14H25NO3/c1-5-12(17-3)13(18-4)10-8-6-7-9-11-14(16)15-2/h5,10H,6-9,11H2,1-4H3,(H,15,16)/b12-5+,13-10+
• InChIKey: AWRCMNZMPMTMHD-SPUCVAIDSA-N
• XLogP: 2.76
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide?

The IUPAC name of (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide (CID 138511692) is (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide.

What is the SMILES notation for (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide?

The canonical SMILES for (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide is C/C=C(OC)\C(=C/CCCCCC(=O)NC)OC.

What is the InChIKey of (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide?

The InChIKey is AWRCMNZMPMTMHD-SPUCVAIDSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-12(17-3)13(18-4)10-8-6-7-9-11-14(16)15-2/h5,10H,6-9,11H2,1-4H3,(H,15,16)/b12-5+,13-10+.

What are the key properties of (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide?

(7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide has a molecular weight of 255.36 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7E,9E)-8,9-dimethoxy-N-methylundeca-7,9-dienamide is sourced from PubChem (CID 138511692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138511692 — identifiers, structure, computed properties (public domain)

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