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

C16H30N2O3 — CID 104767865

IUPAC5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(CC2(OC)CCOC2)C1=O
InChIInChI=1S/C16H30N2O3/c1-5-6-7-13-15(19)18(14(17-13)12(2)3)10-16(20-4)8-9-21-11-16/h12-14,17H,5-11H2,1-4H3
InChIKeyWGUJSGUXLYWQRW-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.76
Rot. Bonds7

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

5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one (PubChem CID 104767865) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
PubChem CID104767865
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(CC2(OC)CCOC2)C1=O
InChIInChI=1S/C16H30N2O3/c1-5-6-7-13-15(19)18(14(17-13)12(2)3)10-16(20-4)8-9-21-11-16/h12-14,17H,5-11H2,1-4H3
InChIKeyWGUJSGUXLYWQRW-UHFFFAOYSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one (CID 104767865) is 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one is CCCCC1NC(C(C)C)N(CC2(OC)CCOC2)C1=O.
What is the InChIKey of 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
The InChIKey is WGUJSGUXLYWQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-6-7-13-15(19)18(14(17-13)12(2)3)10-16(20-4)8-9-21-11-16/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one?
5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one has a molecular weight of 298.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 104767865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).