2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide

C22H25N3O4 — CID 7637595

IUPAC2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O4/c1-29-14-8-13-23-19(26)16-25-20(27)22(24-21(25)28,18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1
InChIKeyUAPRKKGEGKXMKS-JOCHJYFZSA-N
MW395.46 g/mol
LogP1.83
Rot. Bonds9

About 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 7637595) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID7637595
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O4/c1-29-14-8-13-23-19(26)16-25-20(27)22(24-21(25)28,18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1
InChIKeyUAPRKKGEGKXMKS-JOCHJYFZSA-N
XLogP1.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 7300104
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8673028
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 46672266
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629442
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 55326771
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40965115
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 7637595) is 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is UAPRKKGEGKXMKS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-14-8-13-23-19(26)16-25-20(27)22(24-21(25)28,18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 7637595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).