[6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate

C16H25NO5 — CID 87747962

IUPAC[6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C16H25NO5/c1-12(2)15(19)21-10-7-5-6-8-14(18)17-9-11-22-16(20)13(3)4/h1,3,5-11H2,2,4H3,(H,17,18)
InChIKeyRLXUMDFIJRUPHW-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.90
Rot. Bonds11

About [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate

[6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate (PubChem CID 87747962) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate
PubChem CID87747962
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name[6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C16H25NO5/c1-12(2)15(19)21-10-7-5-6-8-14(18)17-9-11-22-16(20)13(3)4/h1,3,5-11H2,2,4H3,(H,17,18)
InChIKeyRLXUMDFIJRUPHW-UHFFFAOYSA-N
XLogP1.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate?
The IUPAC name of [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate (CID 87747962) is [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate?
The InChIKey is RLXUMDFIJRUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-12(2)15(19)21-10-7-5-6-8-14(18)17-9-11-22-16(20)13(3)4/h1,3,5-11H2,2,4H3,(H,17,18).
What are the key properties of [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate?
[6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate has a molecular weight of 311.38 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-methylprop-2-enoyloxy)ethylamino]-6-oxohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87747962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).