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

C15H26N2O5 — CID 20659287

IUPAC[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCC(=O)OCCN(CC)CC
InChIInChI=1S/C15H26N2O5/c1-5-17(6-2)8-10-21-14(19)11-16-13(18)7-9-22-15(20)12(3)4/h3,5-11H2,1-2,4H3,(H,16,18)
InChIKeyRGLJEPCODHRODI-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.50
Rot. Bonds11

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

[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659287) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659287
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCC(=O)OCCN(CC)CC
InChIInChI=1S/C15H26N2O5/c1-5-17(6-2)8-10-21-14(19)11-16-13(18)7-9-22-15(20)12(3)4/h3,5-11H2,1-2,4H3,(H,16,18)
InChIKeyRGLJEPCODHRODI-UHFFFAOYSA-N
XLogP0.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.50
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] 2-methylprop-2-enoate?
The IUPAC name of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659287) is [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)NCC(=O)OCCN(CC)CC.
What is the InChIKey of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is RGLJEPCODHRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-5-17(6-2)8-10-21-14(19)11-16-13(18)7-9-22-15(20)12(3)4/h3,5-11H2,1-2,4H3,(H,16,18).
What are the key properties of [3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 0.50, 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] 2-methylprop-2-enoate is sourced from PubChem (CID 20659287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).