ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate

C15H26N2O7 — CID 21219829

IUPACethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)N(CCC(=O)OCC)C(OC)C1OC
InChIInChI=1S/C15H26N2O7/c1-5-23-11(18)7-9-16-13(21-3)14(22-4)17(15(16)20)10-8-12(19)24-6-2/h13-14H,5-10H2,1-4H3
InChIKeyAGXGMJKQCKAJBJ-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.58
Rot. Bonds10

About ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate

ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate (PubChem CID 21219829) has the molecular formula C15H26N2O7 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate
PubChem CID21219829
Molecular FormulaC15H26N2O7
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)N(CCC(=O)OCC)C(OC)C1OC
InChIInChI=1S/C15H26N2O7/c1-5-23-11(18)7-9-16-13(21-3)14(22-4)17(15(16)20)10-8-12(19)24-6-2/h13-14H,5-10H2,1-4H3
InChIKeyAGXGMJKQCKAJBJ-UHFFFAOYSA-N
XLogP0.58
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate (CID 21219829) is ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate is CCOC(=O)CCN1C(=O)N(CCC(=O)OCC)C(OC)C1OC.
What is the InChIKey of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate?
The InChIKey is AGXGMJKQCKAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O7/c1-5-23-11(18)7-9-16-13(21-3)14(22-4)17(15(16)20)10-8-12(19)24-6-2/h13-14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate?
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate has a molecular weight of 346.38 g/mol, XLogP of 0.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 21219829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).