[2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

C15H21NO5 — CID 18997945

IUPAC[2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC(=O)C(=C)C)N(C)C(=O)C(=C)C
InChIInChI=1S/C15H21NO5/c1-9(2)13(17)16(7)12(21-15(19)11(5)6)8-20-14(18)10(3)4/h12H,1,3,5,8H2,2,4,6-7H3
InChIKeyMWYBXUDEVVVSCA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.59
Rot. Bonds7

About [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

[2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (PubChem CID 18997945) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
PubChem CID18997945
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name[2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC(=O)C(=C)C)N(C)C(=O)C(=C)C
InChIInChI=1S/C15H21NO5/c1-9(2)13(17)16(7)12(21-15(19)11(5)6)8-20-14(18)10(3)4/h12H,1,3,5,8H2,2,4,6-7H3
InChIKeyMWYBXUDEVVVSCA-UHFFFAOYSA-N
XLogP1.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (CID 18997945) is [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(OC(=O)C(=C)C)N(C)C(=O)C(=C)C.
What is the InChIKey of [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The InChIKey is MWYBXUDEVVVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9(2)13(17)16(7)12(21-15(19)11(5)6)8-20-14(18)10(3)4/h12H,1,3,5,8H2,2,4,6-7H3.
What are the key properties of [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
[2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate has a molecular weight of 295.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2-methylprop-2-enoyl)amino]-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18997945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).