2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate

C13H20N2O5 — CID 15208782

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C13H20N2O5/c1-9(2)11(16)19-7-5-14-13(18)15-6-8-20-12(17)10(3)4/h1,3,5-8H2,2,4H3,(H2,14,15,18)
InChIKeyDYRMLWPTRUYYPH-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.52
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate

2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 15208782) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID15208782
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C13H20N2O5/c1-9(2)11(16)19-7-5-14-13(18)15-6-8-20-12(17)10(3)4/h1,3,5-8H2,2,4H3,(H2,14,15,18)
InChIKeyDYRMLWPTRUYYPH-UHFFFAOYSA-N
XLogP0.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate (CID 15208782) is 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is DYRMLWPTRUYYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-9(2)11(16)19-7-5-14-13(18)15-6-8-20-12(17)10(3)4/h1,3,5-8H2,2,4H3,(H2,14,15,18).
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15208782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).