2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate

C12H20N2O6 — CID 20659239

IUPAC2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(=O)OC(C)OCC
InChIInChI=1S/C12H20N2O6/c1-4-10(15)19-7-6-13-12(17)14-8-11(16)20-9(3)18-5-2/h4,9H,1,5-8H2,2-3H3,(H2,13,14,17)
InChIKeyHXQRGFXQCOZMRG-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.06
Rot. Bonds9

About 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate

2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate (PubChem CID 20659239) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
PubChem CID20659239
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(=O)OC(C)OCC
InChIInChI=1S/C12H20N2O6/c1-4-10(15)19-7-6-13-12(17)14-8-11(16)20-9(3)18-5-2/h4,9H,1,5-8H2,2-3H3,(H2,13,14,17)
InChIKeyHXQRGFXQCOZMRG-UHFFFAOYSA-N
XLogP-0.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate (CID 20659239) is 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)NCC(=O)OC(C)OCC.
What is the InChIKey of 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
The InChIKey is HXQRGFXQCOZMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-4-10(15)19-7-6-13-12(17)14-8-11(16)20-9(3)18-5-2/h4,9H,1,5-8H2,2-3H3,(H2,13,14,17).
What are the key properties of 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate has a molecular weight of 288.30 g/mol, XLogP of -0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 20659239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).