2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one

C16H22N2O3 — CID 83253145

IUPAC2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
SMILESCOc1cccc(C2NCC(=O)N2CCC2CCCO2)c1
InChIInChI=1S/C16H22N2O3/c1-20-14-5-2-4-12(10-14)16-17-11-15(19)18(16)8-7-13-6-3-9-21-13/h2,4-5,10,13,16-17H,3,6-9,11H2,1H3
InChIKeyYYNGKQWYQWTFMQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.69
Rot. Bonds5

About 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one

2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one (PubChem CID 83253145) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
PubChem CID83253145
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
SMILESCOc1cccc(C2NCC(=O)N2CCC2CCCO2)c1
InChIInChI=1S/C16H22N2O3/c1-20-14-5-2-4-12(10-14)16-17-11-15(19)18(16)8-7-13-6-3-9-21-13/h2,4-5,10,13,16-17H,3,6-9,11H2,1H3
InChIKeyYYNGKQWYQWTFMQ-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249203
3-[2-(dimethylamino)propyl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83249778
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
3-(2-cyclopropylethyl)-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83259179
2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
3-(oxan-2-ylmethyl)-2-phenylimidazolidin-4-one
CID 83256657
3-(2-cyclohexylethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83246283
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262898

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one (CID 83253145) is 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one is COc1cccc(C2NCC(=O)N2CCC2CCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The InChIKey is YYNGKQWYQWTFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-5-2-4-12(10-14)16-17-11-15(19)18(16)8-7-13-6-3-9-21-13/h2,4-5,10,13,16-17H,3,6-9,11H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one?
2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one has a molecular weight of 290.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83253145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).