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

C14H23NO6 — CID 20659263

IUPAC[3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCCC(=O)OC(C)OCC
InChIInChI=1S/C14H23NO6/c1-5-19-11(4)21-13(17)6-8-15-12(16)7-9-20-14(18)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,15,16)
InChIKeyJSIFIKBJXZELJQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.93
Rot. Bonds10

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

[3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659263) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659263
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name[3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCCC(=O)OC(C)OCC
InChIInChI=1S/C14H23NO6/c1-5-19-11(4)21-13(17)6-8-15-12(16)7-9-20-14(18)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,15,16)
InChIKeyJSIFIKBJXZELJQ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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'}

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659263) is [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)NCCC(=O)OC(C)OCC.
What is the InChIKey of [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is JSIFIKBJXZELJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-5-19-11(4)21-13(17)6-8-15-12(16)7-9-20-14(18)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,15,16).
What are the key properties of [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 301.34 g/mol, XLogP of 0.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(1-ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).