(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione

C22H24N2O6 — CID 7483865

IUPAC(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIInChI=1S/C22H24N2O6/c1-3-27-16-5-7-17(8-6-16)28-11-10-24-20(25)22(2,23-21(24)26)15-4-9-18-19(14-15)30-13-12-29-18/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)/t22-/m0/s1
InChIKeyDDAAXMUDHYLHMG-QFIPXVFZSA-N
MW412.44 g/mol
LogP2.70
Rot. Bonds7

About (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7483865) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7483865
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIInChI=1S/C22H24N2O6/c1-3-27-16-5-7-17(8-6-16)28-11-10-24-20(25)22(2,23-21(24)26)15-4-9-18-19(14-15)30-13-12-29-18/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)/t22-/m0/s1
InChIKeyDDAAXMUDHYLHMG-QFIPXVFZSA-N
XLogP2.70
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 75401896
butyl 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483962
butyl 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483959
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976785
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 17480412
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18087052
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 46613336
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 46642460
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 2571204

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione (CID 7483865) is (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione is CCOc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1.
What is the InChIKey of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DDAAXMUDHYLHMG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-3-27-16-5-7-17(8-6-16)28-11-10-24-20(25)22(2,23-21(24)26)15-4-9-18-19(14-15)30-13-12-29-18/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 412.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7483865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).