ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate

C26H29N3O5 — CID 40775283

IUPACethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C26H29N3O5/c1-2-34-25(32)18-13-15-19(16-14-18)27-23(30)17-22-24(31)29(21-11-7-4-8-12-21)26(33)28(22)20-9-5-3-6-10-20/h4,7-8,11-16,20,22H,2-3,5-6,9-10,17H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyBEPKMHUXBUOZNB-JOCHJYFZSA-N
MW463.53 g/mol
LogP4.36
Rot. Bonds7

About ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate

ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 40775283) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID40775283
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Nameethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C26H29N3O5/c1-2-34-25(32)18-13-15-19(16-14-18)27-23(30)17-22-24(31)29(21-11-7-4-8-12-21)26(33)28(22)20-9-5-3-6-10-20/h4,7-8,11-16,20,22H,2-3,5-6,9-10,17H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyBEPKMHUXBUOZNB-JOCHJYFZSA-N
XLogP4.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263530
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
ethyl 3-[[2-[(4R)-3-cyclopentyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002058
2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7373354
ethyl 3-[[2-[(4S)-3-cyclopentyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774385
ethyl 4-[[2-[(4R)-3-[(4-methylphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774792
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
ethyl 4-[[2-[(4S)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698501
2-[(4R)-3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080609
2-[(4R)-3-cyclopentyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 41263562
2-[3-cyclopropyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 6622829

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate (CID 40775283) is ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is BEPKMHUXBUOZNB-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-2-34-25(32)18-13-15-19(16-14-18)27-23(30)17-22-24(31)29(21-11-7-4-8-12-21)26(33)28(22)20-9-5-3-6-10-20/h4,7-8,11-16,20,22H,2-3,5-6,9-10,17H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 463.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 40775283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).