propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate

C24H26FN3O5 — CID 46516380

IUPACpropan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H26FN3O5/c1-15(2)33-21(30)13-19(16-7-5-4-6-8-16)26-20(29)14-28-22(31)24(3,27-23(28)32)17-9-11-18(25)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,26,29)(H,27,32)
InChIKeyCSXHUWGBLZINMO-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.79
Rot. Bonds8

About propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate (PubChem CID 46516380) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
PubChem CID46516380
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC Namepropan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H26FN3O5/c1-15(2)33-21(30)13-19(16-7-5-4-6-8-16)26-20(29)14-28-22(31)24(3,27-23(28)32)17-9-11-18(25)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,26,29)(H,27,32)
InChIKeyCSXHUWGBLZINMO-UHFFFAOYSA-N
XLogP2.79
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.79
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-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 24520327
methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55454996
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
CID 55878079
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028298
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521703
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521706
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 56519869
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783
N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate (CID 46516380) is propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2)C1=O)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate?
The InChIKey is CSXHUWGBLZINMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c1-15(2)33-21(30)13-19(16-7-5-4-6-8-16)26-20(29)14-28-22(31)24(3,27-23(28)32)17-9-11-18(25)12-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,26,29)(H,27,32).
What are the key properties of propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate has a molecular weight of 455.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 46516380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).