2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide

C21H20N4O6 — CID 41133469

IUPAC2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
SMILESO=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H20N4O6/c26-18(24-20(28)22-14-6-7-16-17(11-14)31-9-8-30-16)12-25-19(27)15(23-21(25)29)10-13-4-2-1-3-5-13/h1-7,11,15H,8-10,12H2,(H,23,29)(H2,22,24,26,28)/t15-/m1/s1
InChIKeyLGQCWFVWUKGAPE-OAHLLOKOSA-N
MW424.41 g/mol
LogP1.27
Rot. Bonds5

About 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide

2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide (PubChem CID 41133469) has the molecular formula C21H20N4O6 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
PubChem CID41133469
Molecular FormulaC21H20N4O6
Molecular Weight424.41 g/mol
Exact Mass424.14
IUPAC Name2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
SMILESO=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H20N4O6/c26-18(24-20(28)22-14-6-7-16-17(11-14)31-9-8-30-16)12-25-19(27)15(23-21(25)29)10-13-4-2-1-3-5-13/h1-7,11,15H,8-10,12H2,(H,23,29)(H2,22,24,26,28)/t15-/m1/s1
InChIKeyLGQCWFVWUKGAPE-OAHLLOKOSA-N
XLogP1.27
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3346712
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4824495
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41273751
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 17402989
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2484748
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2602148
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2583050
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27151553

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide (CID 41133469) is 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide is O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
The InChIKey is LGQCWFVWUKGAPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N4O6/c26-18(24-20(28)22-14-6-7-16-17(11-14)31-9-8-30-16)12-25-19(27)15(23-21(25)29)10-13-4-2-1-3-5-13/h1-7,11,15H,8-10,12H2,(H,23,29)(H2,22,24,26,28)/t15-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide has a molecular weight of 424.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide is sourced from PubChem (CID 41133469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).