[1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate

C₁₇H₂₃NO₉ — CID 21334744

About [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate

[1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate (PubChem CID 21334744) has the molecular formula C₁₇H₂₃NO₉ and a molecular weight of 385.37 g/mol. Its IUPAC name is [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate.

Molecular Properties

• Compound Name: [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate
• PubChem CID: 21334744
• Molecular Formula: C₁₇H₂₃NO₉
• Molecular Weight: 385.37 g/mol
• Exact Mass: 385.14
• IUPAC Name: [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate
• SMILES: C=CC(=O)OCCNC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C=C
• InChI: InChI=1S/C17H23NO9/c1-6-13(19)24-9-8-18-15(21)10(3)26-17(23)12(5)27-16(22)11(4)25-14(20)7-2/h6-7,10-12H,1-2,8-9H2,3-5H3,(H,18,21)
• InChIKey: LTOWGCBGJFIQIR-UHFFFAOYSA-N
• XLogP: -0.19
• TPSA: 134.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.37
LogP ≤ 5	-0.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate?

The IUPAC name of [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate (CID 21334744) is [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate.

What is the SMILES notation for [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate?

The canonical SMILES for [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate is C=CC(=O)OCCNC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C=C.

What is the InChIKey of [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate?

The InChIKey is LTOWGCBGJFIQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO9/c1-6-13(19)24-9-8-18-15(21)10(3)26-17(23)12(5)27-16(22)11(4)25-14(20)7-2/h6-7,10-12H,1-2,8-9H2,3-5H3,(H,18,21).

What are the key properties of [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate?

[1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate has a molecular weight of 385.37 g/mol, XLogP of -0.19, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 21334744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21334744 — identifiers, structure, computed properties (public domain)

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