4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide

C16H18N4O5 — CID 2496944

IUPAC4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C16H18N4O5/c1-2-3-8-19-14(23)15(24)20(16(19)25)9-12(21)18-11-6-4-10(5-7-11)13(17)22/h4-7H,2-3,8-9H2,1H3,(H2,17,22)(H,18,21)
InChIKeyMBMQASDHVQTLIG-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.31
Rot. Bonds7

About 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide

4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide (PubChem CID 2496944) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide
PubChem CID2496944
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C16H18N4O5/c1-2-3-8-19-14(23)15(24)20(16(19)25)9-12(21)18-11-6-4-10(5-7-11)13(17)22/h4-7H,2-3,8-9H2,1H3,(H2,17,22)(H,18,21)
InChIKeyMBMQASDHVQTLIG-UHFFFAOYSA-N
XLogP0.31
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide (CID 2496944) is 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide?
The InChIKey is MBMQASDHVQTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-2-3-8-19-14(23)15(24)20(16(19)25)9-12(21)18-11-6-4-10(5-7-11)13(17)22/h4-7H,2-3,8-9H2,1H3,(H2,17,22)(H,18,21).
What are the key properties of 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide?
4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide has a molecular weight of 346.34 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 2496944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).