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

C23H31N3O5 — CID 42982666

IUPAC3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)N2CCCC2c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C23H31N3O5/c1-3-9-23(10-4-2)21(28)26(22(29)24-23)15-20(27)25-11-5-6-17(25)16-7-8-18-19(14-16)31-13-12-30-18/h7-8,14,17H,3-6,9-13,15H2,1-2H3,(H,24,29)
InChIKeyDMFOZBXBMXGGRY-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.01
Rot. Bonds7

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

3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione (PubChem CID 42982666) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
PubChem CID42982666
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)N2CCCC2c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C23H31N3O5/c1-3-9-23(10-4-2)21(28)26(22(29)24-23)15-20(27)25-11-5-6-17(25)16-7-8-18-19(14-16)31-13-12-30-18/h7-8,14,17H,3-6,9-13,15H2,1-2H3,(H,24,29)
InChIKeyDMFOZBXBMXGGRY-UHFFFAOYSA-N
XLogP3.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 39949061
3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95603142
1-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 9455946
(5R)-3-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 39954602
3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 17451643
2-chloro-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 4961580
3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 42921143
3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17408853
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 24576153
5-(1-benzofuran-2-yl)-3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42893307
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918
3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 35610352

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione (CID 42982666) is 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione is CCCC1(CCC)NC(=O)N(CC(=O)N2CCCC2c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
The InChIKey is DMFOZBXBMXGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-3-9-23(10-4-2)21(28)26(22(29)24-23)15-20(27)25-11-5-6-17(25)16-7-8-18-19(14-16)31-13-12-30-18/h7-8,14,17H,3-6,9-13,15H2,1-2H3,(H,24,29).
What are the key properties of 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione?
3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione has a molecular weight of 429.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione is sourced from PubChem (CID 42982666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).