3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one

C15H28N2O3 — CID 104767861

IUPAC3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CC1(OC)CCOC1
InChIInChI=1S/C15H28N2O3/c1-5-6-12-16-13(11(2)3)14(18)17(12)9-15(19-4)7-8-20-10-15/h11-13,16H,5-10H2,1-4H3
InChIKeyQCTPENYQVIKHQQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.37
Rot. Bonds6

About 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one

3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 104767861) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID104767861
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CC1(OC)CCOC1
InChIInChI=1S/C15H28N2O3/c1-5-6-12-16-13(11(2)3)14(18)17(12)9-15(19-4)7-8-20-10-15/h11-13,16H,5-10H2,1-4H3
InChIKeyQCTPENYQVIKHQQ-UHFFFAOYSA-N
XLogP1.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 104767838
5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 104767865
2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
CID 113451101
3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767840
3-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767875
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83271211
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
3-[(4-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83254528
3-(oxan-4-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256757
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one (CID 104767861) is 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1CC1(OC)CCOC1.
What is the InChIKey of 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is QCTPENYQVIKHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-12-16-13(11(2)3)14(18)17(12)9-15(19-4)7-8-20-10-15/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one has a molecular weight of 284.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 104767861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).