3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C17H20N2O5 — CID 2999202

IUPAC3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C17H20N2O5/c1-10(2)7-12-16(21)19(17(22)18-12)9-13(20)11-3-4-14-15(8-11)24-6-5-23-14/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,18,22)
InChIKeyOUJACPHZCVVYRK-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.61
Rot. Bonds5

About 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 2999202) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID2999202
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C17H20N2O5/c1-10(2)7-12-16(21)19(17(22)18-12)9-13(20)11-3-4-14-15(8-11)24-6-5-23-14/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,18,22)
InChIKeyOUJACPHZCVVYRK-UHFFFAOYSA-N
XLogP1.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 2999202) is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is OUJACPHZCVVYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10(2)7-12-16(21)19(17(22)18-12)9-13(20)11-3-4-14-15(8-11)24-6-5-23-14/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,18,22).
What are the key properties of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2999202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).