1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one

C16H20N2O3 — CID 80580045

IUPAC1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccccc2OCC)c1=O
InChIInChI=1S/C16H20N2O3/c1-3-9-17-10-11-18(16(17)20)12-14(19)13-7-5-6-8-15(13)21-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyVZSONPYCONXYRA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds7

About 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one

1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one (PubChem CID 80580045) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
PubChem CID80580045
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccccc2OCC)c1=O
InChIInChI=1S/C16H20N2O3/c1-3-9-17-10-11-18(16(17)20)12-14(19)13-7-5-6-8-15(13)21-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyVZSONPYCONXYRA-UHFFFAOYSA-N
XLogP2.34
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
2-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 80579353
5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63779260
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
CID 82102192
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80580698

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one (CID 80580045) is 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(=O)c2ccccc2OCC)c1=O.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one?
The InChIKey is VZSONPYCONXYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-9-17-10-11-18(16(17)20)12-14(19)13-7-5-6-8-15(13)21-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one?
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80580045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).