3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H27N3O3 — CID 3145439

IUPAC3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCN(CCC)CC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H27N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h11,18H,5-10H2,1-4H3,(H,15,20)
InChIKeyUZDRICJPHFCLFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.80
Rot. Bonds8

About 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 3145439) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID3145439
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCN(CCC)CC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H27N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h11,18H,5-10H2,1-4H3,(H,15,20)
InChIKeyUZDRICJPHFCLFL-UHFFFAOYSA-N
XLogP0.80
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.80
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-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 3145439) is 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CCCN(CCC)CC(O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UZDRICJPHFCLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h11,18H,5-10H2,1-4H3,(H,15,20).
What are the key properties of 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 285.39 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 3145439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).