[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate

C11H16N2O5 — CID 141109880

IUPAC[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OCCN(C)C(=O)N=CC
InChIInChI=1S/C11H16N2O5/c1-4-9(14)18-8-10(15)17-7-6-13(3)11(16)12-5-2/h4-5H,1,6-8H2,2-3H3
InChIKeyCEDLEUKKFGJPKY-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.40
Rot. Bonds6

About [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate

[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate (PubChem CID 141109880) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate
PubChem CID141109880
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OCCN(C)C(=O)N=CC
InChIInChI=1S/C11H16N2O5/c1-4-9(14)18-8-10(15)17-7-6-13(3)11(16)12-5-2/h4-5H,1,6-8H2,2-3H3
InChIKeyCEDLEUKKFGJPKY-UHFFFAOYSA-N
XLogP0.40
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
2-[2,4,6-trioxo-3-[2-(2-prop-2-enoyloxyacetyl)oxyethyl]-5-(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
CID 20778472
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane
CID 161479127
CID 174984966
CID 174984966
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)amino]ethyl prop-2-enoate
CID 121454155
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115

Frequently Asked Questions

What is the IUPAC name of [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate (CID 141109880) is [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)OCCN(C)C(=O)N=CC.
What is the InChIKey of [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate?
The InChIKey is CEDLEUKKFGJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-4-9(14)18-8-10(15)17-7-6-13(3)11(16)12-5-2/h4-5H,1,6-8H2,2-3H3.
What are the key properties of [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate?
[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate has a molecular weight of 256.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 141109880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).