3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione

C11H21N3O3 — CID 63072352

IUPAC3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(CN)OCC)C1=O
InChIInChI=1S/C11H21N3O3/c1-3-5-9-10(15)14(11(16)13-9)7-8(6-12)17-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyXBUCTOXZBJYOQH-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.07
Rot. Bonds7

About 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione

3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione (PubChem CID 63072352) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione
PubChem CID63072352
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(CN)OCC)C1=O
InChIInChI=1S/C11H21N3O3/c1-3-5-9-10(15)14(11(16)13-9)7-8(6-12)17-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,16)
InChIKeyXBUCTOXZBJYOQH-UHFFFAOYSA-N
XLogP0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione (CID 63072352) is 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CC(CN)OCC)C1=O.
What is the InChIKey of 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is XBUCTOXZBJYOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-5-9-10(15)14(11(16)13-9)7-8(6-12)17-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,16).
What are the key properties of 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione?
3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 243.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 63072352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).