N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C21H23N3O5 — CID 124862347

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H23N3O5/c1-29-16-9-7-14(8-10-16)12-24-20(27)17(23-21(24)28)11-19(26)22-18(13-25)15-5-3-2-4-6-15/h2-10,17-18,25H,11-13H2,1H3,(H,22,26)(H,23,28)/t17-,18-/m1/s1
InChIKeyMNICJZFMGKSSRK-QZTJIDSGSA-N
MW397.43 g/mol
LogP1.36
Rot. Bonds8

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 124862347) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID124862347
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H23N3O5/c1-29-16-9-7-14(8-10-16)12-24-20(27)17(23-21(24)28)11-19(26)22-18(13-25)15-5-3-2-4-6-15/h2-10,17-18,25H,11-13H2,1H3,(H,22,26)(H,23,28)/t17-,18-/m1/s1
InChIKeyMNICJZFMGKSSRK-QZTJIDSGSA-N
XLogP1.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 124864374
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 162946269
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638711
N-[(1R)-2-hydroxy-1-phenylethyl]-3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124860449
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210277
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864251
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864253
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 124873450
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 91640680

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 124862347) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is MNICJZFMGKSSRK-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-29-16-9-7-14(8-10-16)12-24-20(27)17(23-21(24)28)11-19(26)22-18(13-25)15-5-3-2-4-6-15/h2-10,17-18,25H,11-13H2,1H3,(H,22,26)(H,23,28)/t17-,18-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 124862347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).