1-(3,3-diethoxypropyl)-3-propylimidazol-2-one

C13H24N2O3 — CID 80581244

IUPAC1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC(OCC)OCC)c1=O
InChIInChI=1S/C13H24N2O3/c1-4-8-14-10-11-15(13(14)16)9-7-12(17-5-2)18-6-3/h10-12H,4-9H2,1-3H3
InChIKeyUAVJCIMHDFXHNZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.85
Rot. Bonds9

About 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one

1-(3,3-diethoxypropyl)-3-propylimidazol-2-one (PubChem CID 80581244) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
PubChem CID80581244
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC(OCC)OCC)c1=O
InChIInChI=1S/C13H24N2O3/c1-4-8-14-10-11-15(13(14)16)9-7-12(17-5-2)18-6-3/h10-12H,4-9H2,1-3H3
InChIKeyUAVJCIMHDFXHNZ-UHFFFAOYSA-N
XLogP1.85
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one (CID 80581244) is 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one is CCCn1ccn(CCC(OCC)OCC)c1=O.
What is the InChIKey of 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one?
The InChIKey is UAVJCIMHDFXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-8-14-10-11-15(13(14)16)9-7-12(17-5-2)18-6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one?
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one has a molecular weight of 256.35 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80581244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).