(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H25N3O6 — CID 7962421

IUPAC(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)C[C@H](C)O1
InChIInChI=1S/C20H25N3O6/c1-12-9-22(10-13(2)29-12)17(24)11-23-18(25)20(3,21-19(23)26)14-4-5-15-16(8-14)28-7-6-27-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,21,26)/t12-,13+,20-/m1/s1
InChIKeyWWGHDUKHRBVRSO-MTJIALIYSA-N
MW403.44 g/mol
LogP0.86
Rot. Bonds3

About (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7962421) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7962421
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Name(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)C[C@H](C)O1
InChIInChI=1S/C20H25N3O6/c1-12-9-22(10-13(2)29-12)17(24)11-23-18(25)20(3,21-19(23)26)14-4-5-15-16(8-14)28-7-6-27-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,21,26)/t12-,13+,20-/m1/s1
InChIKeyWWGHDUKHRBVRSO-MTJIALIYSA-N
XLogP0.86
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.86
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

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7962414
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 7595171
(5S)-5-(4-tert-butylphenyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 31118115
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 7483911
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 7962163
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
N-cyclohexyl-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7484104
2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 98384667
(5R)-3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 11923861
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7483939
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 7962287

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 7962421) is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)C[C@H](C)O1.
What is the InChIKey of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WWGHDUKHRBVRSO-MTJIALIYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-12-9-22(10-13(2)29-12)17(24)11-23-18(25)20(3,21-19(23)26)14-4-5-15-16(8-14)28-7-6-27-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,21,26)/t12-,13+,20-/m1/s1.
What are the key properties of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 403.44 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7962421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).