Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate

C₁₅H₂₅NO₃ — CID 155082314

About Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate

Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate (PubChem CID 155082314) has the molecular formula C₁₅H₂₅NO₃ and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate
• PubChem CID: 155082314
• Molecular Formula: C₁₅H₂₅NO₃
• Molecular Weight: 267.37 g/mol
• Exact Mass: 267.18
• IUPAC Name: tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate
• SMILES: C=CN(C(=O)OC(C)(C)C)/C(C)=C/C(=C\CC)OC
• InChI: InChI=1S/C15H25NO3/c1-8-10-13(18-7)11-12(3)16(9-2)14(17)19-15(4,5)6/h9-11H,2,8H2,1,3-7H3/b12-11+,13-10+
• InChIKey: AXPIRENAFUONLZ-JASOSIDASA-N
• XLogP: 4.21
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.37
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?

The IUPAC name of Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate (CID 155082314) is tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate.

What is the SMILES notation for Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?

The canonical SMILES for Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate is C=CN(C(=O)OC(C)(C)C)/C(C)=C/C(=C\CC)OC.

What is the InChIKey of Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?

The InChIKey is AXPIRENAFUONLZ-JASOSIDASA-N. The full InChI is InChI=1S/C15H25NO3/c1-8-10-13(18-7)11-12(3)16(9-2)14(17)19-15(4,5)6/h9-11H,2,8H2,1,3-7H3/b12-11+,13-10+.

What are the key properties of Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?

Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate is sourced from PubChem (CID 155082314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155082314 — identifiers, structure, computed properties (public domain)

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