[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate

C13H22N2O5 — CID 20659298

IUPAC[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCC(=O)OCCN(C)C
InChIInChI=1S/C13H22N2O5/c1-10(2)13(18)20-7-5-11(16)14-9-12(17)19-8-6-15(3)4/h1,5-9H2,2-4H3,(H,14,16)
InChIKeyUKJRJJCAPVPVAP-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.28
Rot. Bonds9

About [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate

[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659298) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659298
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCC(=O)OCCN(C)C
InChIInChI=1S/C13H22N2O5/c1-10(2)13(18)20-7-5-11(16)14-9-12(17)19-8-6-15(3)4/h1,5-9H2,2-4H3,(H,14,16)
InChIKeyUKJRJJCAPVPVAP-UHFFFAOYSA-N
XLogP-0.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-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-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659298) is [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)NCC(=O)OCCN(C)C.
What is the InChIKey of [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is UKJRJJCAPVPVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-10(2)13(18)20-7-5-11(16)14-9-12(17)19-8-6-15(3)4/h1,5-9H2,2-4H3,(H,14,16).
What are the key properties of [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 286.33 g/mol, XLogP of -0.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).