3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione

C14H22N4O4 — CID 598298

IUPAC3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCN2C(=O)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C14H22N4O4/c1-13(2)9(19)17(11(21)15-13)7-5-6-8-18-10(20)14(3,4)16-12(18)22/h5-8H2,1-4H3,(H,15,21)(H,16,22)
InChIKeyPYDSVENUCZJBIW-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.43
Rot. Bonds5

About 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 598298) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID598298
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCN2C(=O)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C14H22N4O4/c1-13(2)9(19)17(11(21)15-13)7-5-6-8-18-10(20)14(3,4)16-12(18)22/h5-8H2,1-4H3,(H,15,21)(H,16,22)
InChIKeyPYDSVENUCZJBIW-UHFFFAOYSA-N
XLogP0.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione (CID 598298) is 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCN2C(=O)NC(C)(C)C2=O)C1=O.
What is the InChIKey of 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PYDSVENUCZJBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-13(2)9(19)17(11(21)15-13)7-5-6-8-18-10(20)14(3,4)16-12(18)22/h5-8H2,1-4H3,(H,15,21)(H,16,22).
What are the key properties of 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 598298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).