3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one

C16H32N2O2 — CID 83262701

IUPAC3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(C(CCC)COC)C1=O
InChIInChI=1S/C16H32N2O2/c1-6-8-13(11-20-5)18-15(10-12(3)4)17-14(9-7-2)16(18)19/h12-15,17H,6-11H2,1-5H3
InChIKeySAANCBGRARJWJB-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.77
Rot. Bonds9

About 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one

3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one (PubChem CID 83262701) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
PubChem CID83262701
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(C(CCC)COC)C1=O
InChIInChI=1S/C16H32N2O2/c1-6-8-13(11-20-5)18-15(10-12(3)4)17-14(9-7-2)16(18)19/h12-15,17H,6-11H2,1-5H3
InChIKeySAANCBGRARJWJB-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83242841
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
3-(1-methoxypropan-2-yl)-2,5-dipropylimidazolidin-4-one
CID 83238801
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
3-(3-methoxypropyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83243478
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83264410
5-ethyl-3-(1-methoxypentan-2-yl)-2-methylimidazolidin-4-one
CID 83263467
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one (CID 83262701) is 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(C(CCC)COC)C1=O.
What is the InChIKey of 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The InChIKey is SAANCBGRARJWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-8-13(11-20-5)18-15(10-12(3)4)17-14(9-7-2)16(18)19/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one has a molecular weight of 284.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83262701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).