[3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

C12H19NO6 — CID 20659241

IUPAC[3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OC(C)OCC
InChIInChI=1S/C12H19NO6/c1-4-11(15)18-7-6-10(14)13-8-12(16)19-9(3)17-5-2/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyIGRIDPFSNDXHHZ-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.15
Rot. Bonds9

About [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

[3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (PubChem CID 20659241) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
PubChem CID20659241
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name[3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OC(C)OCC
InChIInChI=1S/C12H19NO6/c1-4-11(15)18-7-6-10(14)13-8-12(16)19-9(3)17-5-2/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyIGRIDPFSNDXHHZ-UHFFFAOYSA-N
XLogP0.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (CID 20659241) is [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)NCC(=O)OC(C)OCC.
What is the InChIKey of [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The InChIKey is IGRIDPFSNDXHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-4-11(15)18-7-6-10(14)13-8-12(16)19-9(3)17-5-2/h4,9H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
[3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate has a molecular weight of 273.28 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 20659241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).