2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide

C21H24N2O3 — CID 98473166

IUPAC2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(N(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1
InChIInChI=1S/C21H24N2O3/c1-12(2)13-5-4-6-16(10-13)22(3)17(24)11-23-20(25)18-14-7-8-15(9-14)19(18)21(23)26/h4-8,10,12,14-15,18-19H,9,11H2,1-3H3/t14-,15-,18-,19-/m0/s1
InChIKeyAQHDMWJJMIXLRB-LNMJFAINSA-N
MW352.43 g/mol
LogP2.58
Rot. Bonds4

About 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide

2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 98473166) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID98473166
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(N(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1
InChIInChI=1S/C21H24N2O3/c1-12(2)13-5-4-6-16(10-13)22(3)17(24)11-23-20(25)18-14-7-8-15(9-14)19(18)21(23)26/h4-8,10,12,14-15,18-19H,9,11H2,1-3H3/t14-,15-,18-,19-/m0/s1
InChIKeyAQHDMWJJMIXLRB-LNMJFAINSA-N
XLogP2.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)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

N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
N-[(2R)-3,3-dimethylbutan-2-yl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylacetamide
CID 98232935
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
N-(1,3-benzothiazol-2-yl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
CID 51333313
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 98457686
N-(4-cyano-2-pyridinyl)-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylacetamide
CID 100602527
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 55717688
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
CID 124778070
N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119937905
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 55614658
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methyl-N-phenylacetamide
CID 7952272
N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
CID 98363739

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide (CID 98473166) is 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(N(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1.
What is the InChIKey of 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is AQHDMWJJMIXLRB-LNMJFAINSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-12(2)13-5-4-6-16(10-13)22(3)17(24)11-23-20(25)18-14-7-8-15(9-14)19(18)21(23)26/h4-8,10,12,14-15,18-19H,9,11H2,1-3H3/t14-,15-,18-,19-/m0/s1.
What are the key properties of 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide?
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 98473166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).