N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C22H21N3O5 — CID 7359700

IUPACN-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O
InChIInChI=1S/C22H21N3O5/c1-2-3-13-24-20(28)21(29)25(22(24)30)14-18(26)23-17-12-8-7-11-16(17)19(27)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,26)
InChIKeyHQUSUERLUSBNQM-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.45
Rot. Bonds8

About N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 7359700) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID7359700
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O
InChIInChI=1S/C22H21N3O5/c1-2-3-13-24-20(28)21(29)25(22(24)30)14-18(26)23-17-12-8-7-11-16(17)19(27)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,26)
InChIKeyHQUSUERLUSBNQM-UHFFFAOYSA-N
XLogP2.45
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.45
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

N-(2-benzoylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756202
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 5090642
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
N-(4-acetyl-2-benzoylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 154103917
N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626264
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 3594113

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 7359700) is N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1=O.
What is the InChIKey of N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is HQUSUERLUSBNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-2-3-13-24-20(28)21(29)25(22(24)30)14-18(26)23-17-12-8-7-11-16(17)19(27)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,26).
What are the key properties of N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7359700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).