3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H27N3O3 — CID 2907686

IUPAC3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)N(CC(O)CN1C(=O)NC(C)(C)C1=O)C(C)C
InChIInChI=1S/C14H27N3O3/c1-9(2)16(10(3)4)7-11(18)8-17-12(19)14(5,6)15-13(17)20/h9-11,18H,7-8H2,1-6H3,(H,15,20)
InChIKeyKPHPLRCZTQMMLW-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.80
Rot. Bonds6

About 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2907686) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2907686
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)N(CC(O)CN1C(=O)NC(C)(C)C1=O)C(C)C
InChIInChI=1S/C14H27N3O3/c1-9(2)16(10(3)4)7-11(18)8-17-12(19)14(5,6)15-13(17)20/h9-11,18H,7-8H2,1-6H3,(H,15,20)
InChIKeyKPHPLRCZTQMMLW-UHFFFAOYSA-N
XLogP0.80
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

3-(2-Hydroxyethyl)-5,5-dimethylhydantoin
CID 99605
1,3-Bis(2-hydroxyethyl)-5,5-dimethyl-2,4-imidazolidinedione
CID 117879
3-[2-Hydroxy-3-(4-morpholinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 647728
3-(2-Hydroxy-3-piperidin-1-yl-propyl)-5,5-dimethyl-imidazolidine-2,4-dione
CID 650277
3-[3-(Diethylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2909095
3-[3-(Dimethylamino)-2-hydroxypropyl]-5,5-dimethyl-1,3-diazolidine-2,4-dione
CID 3133125
3,3'-(2-Hydroxypropane-1,3-diyl)bis(5,5-dimethylimidazolidine-2,4-dione)
CID 648961
3-[2-Hydroxy-3-(1-pyrrolidinyl)propyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2909886
Mercury, chloro((3-(5,5-dimethyl-2,4-dioxo-3-imidazolidinyl)-2-methoxy)propyl)-
CID 18993
3-[3-(2,5-Dioxo-pyrrolidin-1-yl)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione
CID 652154
3-(3-Dibutylamino-2-hydroxy-propyl)-5,5-dimethyl-imidazolidine-2,4-dione
CID 2884173
3-[3-(Dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 3145439

Frequently Asked Questions

What is the IUPAC name of 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2907686) is 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC(C)N(CC(O)CN1C(=O)NC(C)(C)C1=O)C(C)C.
What is the InChIKey of 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KPHPLRCZTQMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-9(2)16(10(3)4)7-11(18)8-17-12(19)14(5,6)15-13(17)20/h9-11,18H,7-8H2,1-6H3,(H,15,20).
What are the key properties of 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 285.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2907686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).