propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate

C23H25N3O5 — CID 71825448

IUPACpropan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H25N3O5/c1-15(2)31-22(29)17-8-10-18(11-9-17)24-20(27)14-19-21(28)26(23(30)25-19)13-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,24,27)(H,25,30)/t19-/m0/s1
InChIKeyAJGFANDJFZIFSN-IBGZPJMESA-N
MW423.47 g/mol
LogP2.74
Rot. Bonds8

About propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate

propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 71825448) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID71825448
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namepropan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H25N3O5/c1-15(2)31-22(29)17-8-10-18(11-9-17)24-20(27)14-19-21(28)26(23(30)25-19)13-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,24,27)(H,25,30)/t19-/m0/s1
InChIKeyAJGFANDJFZIFSN-IBGZPJMESA-N
XLogP2.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-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

propan-2-yl 4-[[2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 75357012
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
methyl 4-[[2-[(4R)-5-oxo-1,3-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40971822
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 99871045
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 75356839
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate (CID 71825448) is propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is AJGFANDJFZIFSN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15(2)31-22(29)17-8-10-18(11-9-17)24-20(27)14-19-21(28)26(23(30)25-19)13-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,24,27)(H,25,30)/t19-/m0/s1.
What are the key properties of propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 423.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 71825448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).