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

C14H24N2O4 — CID 89206110

IUPAC2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCOC(=O)C(=C)C
InChIInChI=1S/C14H24N2O4/c1-11(2)13(17)19-9-7-15-5-6-16-8-10-20-14(18)12(3)4/h15-16H,1,3,5-10H2,2,4H3
InChIKeyMPUYMJJBVDEQTI-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.40
Rot. Bonds11

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

2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 89206110) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID89206110
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCOC(=O)C(=C)C
InChIInChI=1S/C14H24N2O4/c1-11(2)13(17)19-9-7-15-5-6-16-8-10-20-14(18)12(3)4/h15-16H,1,3,5-10H2,2,4H3
InChIKeyMPUYMJJBVDEQTI-UHFFFAOYSA-N
XLogP0.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (CID 89206110) is 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCNCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is MPUYMJJBVDEQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(2)13(17)19-9-7-15-5-6-16-8-10-20-14(18)12(3)4/h15-16H,1,3,5-10H2,2,4H3.
What are the key properties of 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 284.36 g/mol, XLogP of 0.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89206110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).