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

C14H24N2O5 — CID 20659288

IUPAC[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OCCN(CC)CC
InChIInChI=1S/C14H24N2O5/c1-4-13(18)20-9-7-12(17)15-11-14(19)21-10-8-16(5-2)6-3/h4H,1,5-11H2,2-3H3,(H,15,17)
InChIKeyGSXUHWZQRXYJLJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.11
Rot. Bonds11

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

[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (PubChem CID 20659288) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
PubChem CID20659288
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OCCN(CC)CC
InChIInChI=1S/C14H24N2O5/c1-4-13(18)20-9-7-12(17)15-11-14(19)21-10-8-16(5-2)6-3/h4H,1,5-11H2,2-3H3,(H,15,17)
InChIKeyGSXUHWZQRXYJLJ-UHFFFAOYSA-N
XLogP0.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (CID 20659288) is [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)NCC(=O)OCCN(CC)CC.
What is the InChIKey of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The InChIKey is GSXUHWZQRXYJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-13(18)20-9-7-12(17)15-11-14(19)21-10-8-16(5-2)6-3/h4H,1,5-11H2,2-3H3,(H,15,17).
What are the key properties of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate has a molecular weight of 300.36 g/mol, XLogP of 0.11, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 20659288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).