2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide

C22H25N3O6 — CID 162946269

IUPAC2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)NC(CO)c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C22H25N3O6/c1-30-18-9-8-14(10-19(18)31-2)12-25-21(28)16(24-22(25)29)11-20(27)23-17(13-26)15-6-4-3-5-7-15/h3-10,16-17,26H,11-13H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyJNIWXKMFTOUYBB-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.36
Rot. Bonds9

About 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide

2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide (PubChem CID 162946269) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
PubChem CID162946269
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)NC(CO)c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C22H25N3O6/c1-30-18-9-8-14(10-19(18)31-2)12-25-21(28)16(24-22(25)29)11-20(27)23-17(13-26)15-6-4-3-5-7-15/h3-10,16-17,26H,11-13H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyJNIWXKMFTOUYBB-UHFFFAOYSA-N
XLogP1.36
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124862347
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 91638329
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-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 122169366
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210277
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methylpropyl)acetamide
CID 75490972
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
N-(1,3-benzothiazol-2-yl)-2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828808
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 126417321
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide?
The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide (CID 162946269) is 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide?
The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide is COc1ccc(CN2C(=O)NC(CC(=O)NC(CO)c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide?
The InChIKey is JNIWXKMFTOUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-30-18-9-8-14(10-19(18)31-2)12-25-21(28)16(24-22(25)29)11-20(27)23-17(13-26)15-6-4-3-5-7-15/h3-10,16-17,26H,11-13H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide?
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide is sourced from PubChem (CID 162946269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).