(3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C24H19N3O5 — CID 40860589

IUPAC(3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1COc2ccccc2O1
InChIInChI=1S/C24H19N3O5/c28-21(20-15-31-18-13-7-8-14-19(18)32-20)26-27-22(29)24(25-23(27)30,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,25,30)(H,26,28)/t20-/m1/s1
InChIKeyJNXJTOZGCCOKKL-HXUWFJFHSA-N
MW429.43 g/mol
LogP2.35
Rot. Bonds4

About (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 40860589) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID40860589
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name(3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1COc2ccccc2O1
InChIInChI=1S/C24H19N3O5/c28-21(20-15-31-18-13-7-8-14-19(18)32-20)26-27-22(29)24(25-23(27)30,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,25,30)(H,26,28)/t20-/m1/s1
InChIKeyJNXJTOZGCCOKKL-HXUWFJFHSA-N
XLogP2.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 25442262
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40972586
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
(3S)-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94191023
1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 26009983
5-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 125148607
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47250318
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 40860589) is (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is JNXJTOZGCCOKKL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H19N3O5/c28-21(20-15-31-18-13-7-8-14-19(18)32-20)26-27-22(29)24(25-23(27)30,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,25,30)(H,26,28)/t20-/m1/s1.
What are the key properties of (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 40860589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).