2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one

C16H30N2O2 — CID 83246103

IUPAC2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(C2CCCC2)N(CCCCOC)C1=O
InChIInChI=1S/C16H30N2O2/c1-3-8-14-16(19)18(11-6-7-12-20-2)15(17-14)13-9-4-5-10-13/h13-15,17H,3-12H2,1-2H3
InChIKeyKODBZGNCQKCQNO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds8

About 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one

2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one (PubChem CID 83246103) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one
PubChem CID83246103
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(C2CCCC2)N(CCCCOC)C1=O
InChIInChI=1S/C16H30N2O2/c1-3-8-14-16(19)18(11-6-7-12-20-2)15(17-14)13-9-4-5-10-13/h13-15,17H,3-12H2,1-2H3
InChIKeyKODBZGNCQKCQNO-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one (CID 83246103) is 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one is CCCC1NC(C2CCCC2)N(CCCCOC)C1=O.
What is the InChIKey of 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one?
The InChIKey is KODBZGNCQKCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-8-14-16(19)18(11-6-7-12-20-2)15(17-14)13-9-4-5-10-13/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one?
2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83246103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).