(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide

C₁₄H₂₇NO₂ — CID 159542505

About (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide

(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide (PubChem CID 159542505) has the molecular formula C₁₄H₂₇NO₂ and a molecular weight of 241.37 g/mol. Its IUPAC name is (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide.

Molecular Properties

• Compound Name: (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide
• PubChem CID: 159542505
• Molecular Formula: C₁₄H₂₇NO₂
• Molecular Weight: 241.37 g/mol
• Exact Mass: 241.20
• IUPAC Name: (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide
• SMILES: CCCN(C)C(=O)/C=C/CCCCOC(C)C
• InChI: InChI=1S/C14H27NO2/c1-5-11-15(4)14(16)10-8-6-7-9-12-17-13(2)3/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8+
• InChIKey: AEMUCTUCXHBLDJ-CSKARUKUSA-N
• XLogP: 3.01
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.37
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?

The IUPAC name of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide (CID 159542505) is (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide.

What is the SMILES notation for (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?

The canonical SMILES for (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide is CCCN(C)C(=O)/C=C/CCCCOC(C)C.

What is the InChIKey of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?

The InChIKey is AEMUCTUCXHBLDJ-CSKARUKUSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-11-15(4)14(16)10-8-6-7-9-12-17-13(2)3/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8+.

What are the key properties of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?

(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide is sourced from PubChem (CID 159542505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159542505 — identifiers, structure, computed properties (public domain)

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