(4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide

C₁₇H₃₁NO₄ — CID 170361339

About (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide

(4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide (PubChem CID 170361339) has the molecular formula C₁₇H₃₁NO₄ and a molecular weight of 313.44 g/mol. Its IUPAC name is (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide.

Molecular Properties

• Compound Name: (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide
• PubChem CID: 170361339
• Molecular Formula: C₁₇H₃₁NO₄
• Molecular Weight: 313.44 g/mol
• Exact Mass: 313.23
• IUPAC Name: (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide
• SMILES: CCCCCNC(=O)CC/C=C(OC)\C(OC)=C(/CC)OC
• InChI: InChI=1S/C17H31NO4/c1-6-8-9-13-18-16(19)12-10-11-15(21-4)17(22-5)14(7-2)20-3/h11H,6-10,12-13H2,1-5H3,(H,18,19)/b15-11+,17-14-
• InChIKey: LXLXQBKMUOZCED-IQOWBAITSA-N
• XLogP: 3.52
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide?

The IUPAC name of (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide (CID 170361339) is (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide.

What is the SMILES notation for (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide?

The canonical SMILES for (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide is CCCCCNC(=O)CC/C=C(OC)\C(OC)=C(/CC)OC.

What is the InChIKey of (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide?

The InChIKey is LXLXQBKMUOZCED-IQOWBAITSA-N. The full InChI is InChI=1S/C17H31NO4/c1-6-8-9-13-18-16(19)12-10-11-15(21-4)17(22-5)14(7-2)20-3/h11H,6-10,12-13H2,1-5H3,(H,18,19)/b15-11+,17-14-.

What are the key properties of (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide?

(4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide has a molecular weight of 313.44 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,6Z)-5,6,7-trimethoxy-N-pentylnona-4,6-dienamide is sourced from PubChem (CID 170361339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170361339 — identifiers, structure, computed properties (public domain)

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