3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione

C18H24N2O3 — CID 2216210

IUPAC3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCOc2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C18H24N2O3/c1-18(2)16(21)20(17(22)19-18)10-3-4-11-23-15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeyHOEFJXOKLSJMHL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.66
Rot. Bonds6

About 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2216210) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2216210
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCOc2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C18H24N2O3/c1-18(2)16(21)20(17(22)19-18)10-3-4-11-23-15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeyHOEFJXOKLSJMHL-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2216210) is 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCOc2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HOEFJXOKLSJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2)16(21)20(17(22)19-18)10-3-4-11-23-15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2216210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).