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

C17H20N4O5 — CID 5090642

IUPACN-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C17H20N4O5/c1-2-3-9-20-14(23)15(24)21(17(20)26)11-13(22)19-16(25)18-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,18,19,22,25)
InChIKeyLOHRCJCPNBBYSC-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.60
Rot. Bonds7

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

N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 5090642) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID5090642
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C17H20N4O5/c1-2-3-9-20-14(23)15(24)21(17(20)26)11-13(22)19-16(25)18-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,18,19,22,25)
InChIKeyLOHRCJCPNBBYSC-UHFFFAOYSA-N
XLogP0.60
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
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-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 7738271
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743
N-[(2-fluorophenyl)carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626817
N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7359700
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 7300104
N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702151
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 7819532
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 5090642) is N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is LOHRCJCPNBBYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-2-3-9-20-14(23)15(24)21(17(20)26)11-13(22)19-16(25)18-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,18,19,22,25).
What are the key properties of N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 5090642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).