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

C17H22N2O3 — CID 2216518

IUPAC3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C17H22N2O3/c1-17(2)15(20)19(16(21)18-17)9-4-10-22-14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21)
InChIKeyRNNJPBPNTFVRAD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.27
Rot. Bonds5

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

3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2216518) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2216518
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C17H22N2O3/c1-17(2)15(20)19(16(21)18-17)9-4-10-22-14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21)
InChIKeyRNNJPBPNTFVRAD-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.27
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-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2216518) is 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RNNJPBPNTFVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2)15(20)19(16(21)18-17)9-4-10-22-14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 302.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2216518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).