[2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

C₁₇H₂₄N₄O₅ — CID 166864861

About [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 166864861) has the molecular formula C₁₇H₂₄N₄O₅ and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
• PubChem CID: 166864861
• Molecular Formula: C₁₇H₂₄N₄O₅
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.17
• IUPAC Name: [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
• SMILES: C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)NCCCn1ccnc1
• InChI: InChI=1S/C17H24N4O5/c1-4-14(22)25-11-17(3,12-26-15(23)5-2)20-16(24)19-7-6-9-21-10-8-18-13-21/h4-5,8,10,13H,1-2,6-7,9,11-12H2,3H3,(H2,19,20,24)
• InChIKey: GFIRHCUMNIAMMS-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 111.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.40
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

The IUPAC name of [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 166864861) is [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate.

What is the SMILES notation for [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

The canonical SMILES for [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)NCCCn1ccnc1.

What is the InChIKey of [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

The InChIKey is GFIRHCUMNIAMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-4-14(22)25-11-17(3,12-26-15(23)5-2)20-16(24)19-7-6-9-21-10-8-18-13-21/h4-5,8,10,13H,1-2,6-7,9,11-12H2,3H3,(H2,19,20,24).

What are the key properties of [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate?

[2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 364.40 g/mol, XLogP of 0.79, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-imidazol-1-ylpropylcarbamoylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 166864861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166864861 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.