3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one

C17H26N2O2 — CID 83247059

IUPAC3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one
SMILESCCOc1ccc(C2NC(C)C(=O)N2CC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-6-21-14-9-7-13(8-10-14)15-18-12(2)16(20)19(15)11-17(3,4)5/h7-10,12,15,18H,6,11H2,1-5H3
InChIKeyNBULLZNQJVMIIV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one

3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one (PubChem CID 83247059) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one
PubChem CID83247059
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one
SMILESCCOc1ccc(C2NC(C)C(=O)N2CC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-6-21-14-9-7-13(8-10-14)15-18-12(2)16(20)19(15)11-17(3,4)5/h7-10,12,15,18H,6,11H2,1-5H3
InChIKeyNBULLZNQJVMIIV-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one (CID 83247059) is 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one is CCOc1ccc(C2NC(C)C(=O)N2CC(C)(C)C)cc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one?
The InChIKey is NBULLZNQJVMIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-21-14-9-7-13(8-10-14)15-18-12(2)16(20)19(15)11-17(3,4)5/h7-10,12,15,18H,6,11H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83247059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).