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

C23H29N3O4 — CID 98600121

IUPAC2-[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
SMILESCc1cc(C)c(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/C23H29N3O4/c1-12-7-13(2)20(14(3)8-12)24-19(27)11-25-21(28)22(29)26(23(25)30)15(4)18-10-16-5-6-17(18)9-16/h7-8,15-18H,5-6,9-11H2,1-4H3,(H,24,27)/t15-,16-,17-,18+/m0/s1
InChIKeyDRFHIHCETLVQIY-XLAORIBOSA-N
MW411.50 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

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 (PubChem CID 98600121) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 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-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide
PubChem CID98600121
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[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
SMILESCc1cc(C)c(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/C23H29N3O4/c1-12-7-13(2)20(14(3)8-12)24-19(27)11-25-21(28)22(29)26(23(25)30)15(4)18-10-16-5-6-17(18)9-16/h7-8,15-18H,5-6,9-11H2,1-4H3,(H,24,27)/t15-,16-,17-,18+/m0/s1
InChIKeyDRFHIHCETLVQIY-XLAORIBOSA-N
XLogP3.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.17
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-(2,4,6-trimethylphenyl)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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 42904296
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
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
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 7757167
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 129376007
2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2148294

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-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide (CID 98600121) is 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.
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-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(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-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DRFHIHCETLVQIY-XLAORIBOSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-12-7-13(2)20(14(3)8-12)24-19(27)11-25-21(28)22(29)26(23(25)30)15(4)18-10-16-5-6-17(18)9-16/h7-8,15-18H,5-6,9-11H2,1-4H3,(H,24,27)/t15-,16-,17-,18+/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-(2,4,6-trimethylphenyl)acetamide?
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 has a molecular weight of 411.50 g/mol, XLogP of 3.17, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 98600121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).