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

C17H23NO9 — CID 21334744

IUPAC[1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCNC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C=C
InChIInChI=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)
InChIKeyLTOWGCBGJFIQIR-UHFFFAOYSA-N
MW385.37 g/mol
LogP-0.19
Rot. Bonds11

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 CID21334744
Molecular FormulaC17H23NO9
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name[1-oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCNC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C=C
InChIInChI=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)
InChIKeyLTOWGCBGJFIQIR-UHFFFAOYSA-N
XLogP-0.19
TPSA134.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}

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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).