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

C16H30N2O3 — CID 104767840

IUPAC3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCOC1(CN2C(=O)C(CC(C)C)NC2C(C)C)CCOC1
InChIInChI=1S/C16H30N2O3/c1-11(2)8-13-15(19)18(14(17-13)12(3)4)9-16(20-5)6-7-21-10-16/h11-14,17H,6-10H2,1-5H3
InChIKeyTYVKABVYQDGWAN-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.62
Rot. Bonds6

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

3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 104767840) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID104767840
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCOC1(CN2C(=O)C(CC(C)C)NC2C(C)C)CCOC1
InChIInChI=1S/C16H30N2O3/c1-11(2)8-13-15(19)18(14(17-13)12(3)4)9-16(20-5)6-7-21-10-16/h11-14,17H,6-10H2,1-5H3
InChIKeyTYVKABVYQDGWAN-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one (CID 104767840) is 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one is COC1(CN2C(=O)C(CC(C)C)NC2C(C)C)CCOC1.
What is the InChIKey of 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is TYVKABVYQDGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)8-13-15(19)18(14(17-13)12(3)4)9-16(20-5)6-7-21-10-16/h11-14,17H,6-10H2,1-5H3.
What are the key properties of 3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one?
3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 298.43 g/mol, XLogP of 1.62, 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-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 104767840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).