4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

C28H34N4O5 — CID 155559133

IUPAC4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(CN2C(=O)N(C3CCCCC3)C(=O)C2CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C28H34N4O5/c1-19-7-9-21(10-8-19)18-31-24(27(35)32(28(31)36)23-5-3-2-4-6-23)15-16-25(33)29-17-20-11-13-22(14-12-20)26(34)30-37/h7-14,23-24,37H,2-6,15-18H2,1H3,(H,29,33)(H,30,34)
InChIKeyIHSBHWZFNRZYNL-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.68
Rot. Bonds9

About 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155559133) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
PubChem CID155559133
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC Name4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESCc1ccc(CN2C(=O)N(C3CCCCC3)C(=O)C2CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C28H34N4O5/c1-19-7-9-21(10-8-19)18-31-24(27(35)32(28(31)36)23-5-3-2-4-6-23)15-16-25(33)29-17-20-11-13-22(14-12-20)26(34)30-37/h7-14,23-24,37H,2-6,15-18H2,1H3,(H,29,33)(H,30,34)
InChIKeyIHSBHWZFNRZYNL-UHFFFAOYSA-N
XLogP3.68
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155559133) is 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is Cc1ccc(CN2C(=O)N(C3CCCCC3)C(=O)C2CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The InChIKey is IHSBHWZFNRZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-19-7-9-21(10-8-19)18-31-24(27(35)32(28(31)36)23-5-3-2-4-6-23)15-16-25(33)29-17-20-11-13-22(14-12-20)26(34)30-37/h7-14,23-24,37H,2-6,15-18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 506.60 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-cyclohexyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155559133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).