[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C26H23N3O5 — CID 33068963

IUPAC[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H23N3O5/c30-23(28-22-12-5-4-10-20(22)13-18-7-2-1-3-8-18)17-34-25(32)21-11-6-9-19(14-21)16-29-24(31)15-27-26(29)33/h1-12,14H,13,15-17H2,(H,27,33)(H,28,30)
InChIKeyUANKTJYVKICTIW-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.12
Rot. Bonds8

About [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 33068963) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID33068963
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H23N3O5/c30-23(28-22-12-5-4-10-20(22)13-18-7-2-1-3-8-18)17-34-25(32)21-11-6-9-19(14-21)16-29-24(31)15-27-26(29)33/h1-12,14H,13,15-17H2,(H,27,33)(H,28,30)
InChIKeyUANKTJYVKICTIW-UHFFFAOYSA-N
XLogP3.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067922
[2-(3-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067811
[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33076527
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119440495
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517134
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517172
[2-(2-benzylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654106
[2-(2-benzylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7671283
[2-(2-benzylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 55317751
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
[2-(2-benzylanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 35308448
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(2-ethylphenoxy)acetamide
CID 55617362

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 33068963) is [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is UANKTJYVKICTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-23(28-22-12-5-4-10-20(22)13-18-7-2-1-3-8-18)17-34-25(32)21-11-6-9-19(14-21)16-29-24(31)15-27-26(29)33/h1-12,14H,13,15-17H2,(H,27,33)(H,28,30).
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 457.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 33068963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).