3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H23N3O3 — CID 113236564

IUPAC3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)CC(C)(C)O
InChIInChI=1S/C12H23N3O3/c1-11(2,18)8-14(5)6-7-15-9(16)12(3,4)13-10(15)17/h18H,6-8H2,1-5H3,(H,13,17)
InChIKeyIQQBABMMYWCSGL-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.02
Rot. Bonds5

About 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 113236564) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID113236564
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)CC(C)(C)O
InChIInChI=1S/C12H23N3O3/c1-11(2,18)8-14(5)6-7-15-9(16)12(3,4)13-10(15)17/h18H,6-8H2,1-5H3,(H,13,17)
InChIKeyIQQBABMMYWCSGL-UHFFFAOYSA-N
XLogP0.02
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.02
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-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 113236564) is 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CN(CCN1C(=O)NC(C)(C)C1=O)CC(C)(C)O.
What is the InChIKey of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IQQBABMMYWCSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(2,18)8-14(5)6-7-15-9(16)12(3,4)13-10(15)17/h18H,6-8H2,1-5H3,(H,13,17).
What are the key properties of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 257.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 113236564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).