2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide

C22H27N3O4 — CID 98600083

IUPAC2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1
InChIInChI=1S/C22H27N3O4/c1-12-4-7-18(13(2)8-12)23-19(26)11-24-20(27)21(28)25(22(24)29)14(3)17-10-15-5-6-16(17)9-15/h4,7-8,14-17H,5-6,9-11H2,1-3H3,(H,23,26)/t14-,15-,16-,17+/m0/s1
InChIKeyPZPJXICRSYQOCH-LUKYLMHMSA-N
MW397.48 g/mol
LogP2.86
Rot. Bonds5

About 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide

2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 98600083) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID98600083
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1
InChIInChI=1S/C22H27N3O4/c1-12-4-7-18(13(2)8-12)23-19(26)11-24-20(27)21(28)25(22(24)29)14(3)17-10-15-5-6-16(17)9-15/h4,7-8,14-17H,5-6,9-11H2,1-3H3,(H,23,26)/t14-,15-,16-,17+/m0/s1
InChIKeyPZPJXICRSYQOCH-LUKYLMHMSA-N
XLogP2.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 98600121
2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 42904296
2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 42904290
2-[3-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 98600066
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,4-dimethylphenyl)thiourea
CID 19651465
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 4852472
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975527
N-(2,4-dimethylphenyl)-3-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 98214194
N-(2,4-dimethylphenyl)-3-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 11893479
[2-(2,4-dimethylanilino)-2-oxoethyl] (2R)-2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanoate
CID 11945502

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 98600083) is 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c(C)c1.
What is the InChIKey of 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is PZPJXICRSYQOCH-LUKYLMHMSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-12-4-7-18(13(2)8-12)23-19(26)11-24-20(27)21(28)25(22(24)29)14(3)17-10-15-5-6-16(17)9-15/h4,7-8,14-17H,5-6,9-11H2,1-3H3,(H,23,26)/t14-,15-,16-,17+/m0/s1.
What are the key properties of 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 98600083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).