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

C21H25N3O4 — CID 42904290

IUPAC2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(=O)N(C(C)C3CC4CCC3C4)C2=O)c1
InChIInChI=1S/C21H25N3O4/c1-12-4-3-5-16(8-12)22-18(25)11-23-19(26)20(27)24(21(23)28)13(2)17-10-14-6-7-15(17)9-14/h3-5,8,13-15,17H,6-7,9-11H2,1-2H3,(H,22,25)
InChIKeyKWLAVIHUHLYEEO-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.55
Rot. Bonds5

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

2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 42904290) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID42904290
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(=O)N(C(C)C3CC4CCC3C4)C2=O)c1
InChIInChI=1S/C21H25N3O4/c1-12-4-3-5-16(8-12)22-18(25)11-23-19(26)20(27)24(21(23)28)13(2)17-10-14-6-7-15(17)9-14/h3-5,8,13-15,17H,6-7,9-11H2,1-2H3,(H,22,25)
InChIKeyKWLAVIHUHLYEEO-UHFFFAOYSA-N
XLogP2.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.55
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'}

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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-[(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-[(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-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46561010
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-methylphenyl)urea
CID 98329753
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
CID 43082122
N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8988510
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 98232283
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 51406091
2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 40842843

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 42904290) is 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)C(=O)N(C(C)C3CC4CCC3C4)C2=O)c1.
What is the InChIKey of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KWLAVIHUHLYEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-12-4-3-5-16(8-12)22-18(25)11-23-19(26)20(27)24(21(23)28)13(2)17-10-14-6-7-15(17)9-14/h3-5,8,13-15,17H,6-7,9-11H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 42904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).