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

C14H23NO6 — CID 20659247

IUPAC[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C14H23NO6/c1-5-13(17)19-7-6-12(16)15-8-14(18)21-11(4)20-9-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,15,16)
InChIKeyGDZHLWZDZBASTD-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.78
Rot. Bonds10

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

[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (PubChem CID 20659247) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
PubChem CID20659247
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C14H23NO6/c1-5-13(17)19-7-6-12(16)15-8-14(18)21-11(4)20-9-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,15,16)
InChIKeyGDZHLWZDZBASTD-UHFFFAOYSA-N
XLogP0.78
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.78
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-(2-methylpropoxy)ethoxy]-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-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (CID 20659247) is [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)NCC(=O)OC(C)OCC(C)C.
What is the InChIKey of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The InChIKey is GDZHLWZDZBASTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-5-13(17)19-7-6-12(16)15-8-14(18)21-11(4)20-9-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,15,16).
What are the key properties of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate has a molecular weight of 301.34 g/mol, XLogP of 0.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 20659247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).