2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

C23H27N3O4 — CID 16718430

IUPAC2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N1C(=O)NC(CCc2ccc(Cc3ccccc3)cc2)C1=O
InChIInChI=1S/C23H27N3O4/c1-15(2)20(21(27)25-30)26-22(28)19(24-23(26)29)13-12-16-8-10-18(11-9-16)14-17-6-4-3-5-7-17/h3-11,15,19-20,30H,12-14H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyVFSSDGMIRYOSLW-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.66
Rot. Bonds8

About 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (PubChem CID 16718430) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
PubChem CID16718430
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N1C(=O)NC(CCc2ccc(Cc3ccccc3)cc2)C1=O
InChIInChI=1S/C23H27N3O4/c1-15(2)20(21(27)25-30)26-22(28)19(24-23(26)29)13-12-16-8-10-18(11-9-16)14-17-6-4-3-5-7-17/h3-11,15,19-20,30H,12-14H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyVFSSDGMIRYOSLW-UHFFFAOYSA-N
XLogP2.66
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (CID 16718430) is 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is CC(C)C(C(=O)NO)N1C(=O)NC(CCc2ccc(Cc3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The InChIKey is VFSSDGMIRYOSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15(2)20(21(27)25-30)26-22(28)19(24-23(26)29)13-12-16-8-10-18(11-9-16)14-17-6-4-3-5-7-17/h3-11,15,19-20,30H,12-14H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide has a molecular weight of 409.49 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-benzylphenyl)ethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 16718430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).