2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C21H19N3O5 — CID 42897100

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1CCOc2ccccc21
InChIInChI=1S/C21H19N3O5/c25-18(22-16-10-11-29-17-9-5-4-8-15(16)17)13-24-20(27)19(26)23(21(24)28)12-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,22,25)
InChIKeyRKRIEMIUSITRRH-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.62
Rot. Bonds5

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 42897100) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID42897100
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1CCOc2ccccc21
InChIInChI=1S/C21H19N3O5/c25-18(22-16-10-11-29-17-9-5-4-8-15(16)17)13-24-20(27)19(26)23(21(24)28)12-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,22,25)
InChIKeyRKRIEMIUSITRRH-UHFFFAOYSA-N
XLogP1.62
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 8927965
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115280
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 7819532
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46970464
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9047889
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 55687411
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17394281

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 42897100) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1CCOc2ccccc21.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is RKRIEMIUSITRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-18(22-16-10-11-29-17-9-5-4-8-15(16)17)13-24-20(27)19(26)23(21(24)28)12-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,22,25).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 42897100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).