2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C20H21N3O5 — CID 2602148

IUPAC2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-16-9-8-14(11-17(16)28-2)21-18(24)12-23-19(25)15(22-20(23)26)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26)/t15-/m1/s1
InChIKeyBQJGBKAXKJTOOI-OAHLLOKOSA-N
MW383.40 g/mol
LogP1.81
Rot. Bonds7

About 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2602148) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2602148
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-16-9-8-14(11-17(16)28-2)21-18(24)12-23-19(25)15(22-20(23)26)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26)/t15-/m1/s1
InChIKeyBQJGBKAXKJTOOI-OAHLLOKOSA-N
XLogP1.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.81
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-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
N-(3,4-diethoxyphenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 4877761
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 18074733
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 41117633
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
N-(3,4-dimethoxyphenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686783

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 2602148) is 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1OC.
What is the InChIKey of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BQJGBKAXKJTOOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-16-9-8-14(11-17(16)28-2)21-18(24)12-23-19(25)15(22-20(23)26)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26)/t15-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2602148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).