3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile

C14H17N3O3 — CID 61388215

IUPAC3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCCN1CCNC1=O
InChIInChI=1S/C14H17N3O3/c1-2-19-13-9-11(10-15)3-4-12(13)20-8-7-17-6-5-16-14(17)18/h3-4,9H,2,5-8H2,1H3,(H,16,18)
InChIKeyYUGRQGWZDXUBQK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.36
Rot. Bonds6

About 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile

3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile (PubChem CID 61388215) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile
PubChem CID61388215
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCCN1CCNC1=O
InChIInChI=1S/C14H17N3O3/c1-2-19-13-9-11(10-15)3-4-12(13)20-8-7-17-6-5-16-14(17)18/h3-4,9H,2,5-8H2,1H3,(H,16,18)
InChIKeyYUGRQGWZDXUBQK-UHFFFAOYSA-N
XLogP1.36
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzonitrile
CID 47160324
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686
3-ethoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzonitrile
CID 82888429
3-ethoxy-4-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethoxy]benzonitrile
CID 56799844
3-ethoxy-4-hexoxybenzonitrile
CID 20993567
1-[2-[2-methoxy-4-(methylaminomethyl)phenoxy]ethyl]imidazolidin-2-one
CID 43278574
3-ethoxy-4-(3-ethylsulfonylpropoxy)benzonitrile
CID 65093173
1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one
CID 146830978
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile (CID 61388215) is 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile is CCOc1cc(C#N)ccc1OCCN1CCNC1=O.
What is the InChIKey of 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile?
The InChIKey is YUGRQGWZDXUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-19-13-9-11(10-15)3-4-12(13)20-8-7-17-6-5-16-14(17)18/h3-4,9H,2,5-8H2,1H3,(H,16,18).
What are the key properties of 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile?
3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile has a molecular weight of 275.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 61388215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).