3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C15H20N2O3 — CID 12955653

IUPAC3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C15H20N2O3/c1-15(2)13(18)17(14(19)16-15)9-5-7-11-6-4-8-12(10-11)20-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,19)
InChIKeyOSUVGODAMXGXEP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds5

About 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 12955653) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID12955653
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C15H20N2O3/c1-15(2)13(18)17(14(19)16-15)9-5-7-11-6-4-8-12(10-11)20-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,19)
InChIKeyOSUVGODAMXGXEP-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 12955653) is 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(CCCN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OSUVGODAMXGXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)13(18)17(14(19)16-15)9-5-7-11-6-4-8-12(10-11)20-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,19).
What are the key properties of 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 12955653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).