2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide

C17H16N2O3 — CID 4737199

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13(18-12-4-2-1-3-5-12)9-19-16(21)14-10-6-7-11(8-10)15(14)17(19)22/h1-7,10-11,14-15H,8-9H2,(H,18,20)
InChIKeyQFRIVXJGEHIPJI-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.43
Rot. Bonds3

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide (PubChem CID 4737199) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide
PubChem CID4737199
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13(18-12-4-2-1-3-5-12)9-19-16(21)14-10-6-7-11(8-10)15(14)17(19)22/h1-7,10-11,14-15H,8-9H2,(H,18,20)
InChIKeyQFRIVXJGEHIPJI-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Stk246934
CID 300678
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
CID 3776698
2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-methyl-N-phenylpentanamide
CID 2967437
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 16546598
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2925597
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide
CID 130476467
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 2925491
2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 5096714
2-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 653789
N-(3-acetylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
CID 2925633
N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 3237832
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[1-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]urea
CID 3238938

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide (CID 4737199) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide?
The InChIKey is QFRIVXJGEHIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-13(18-12-4-2-1-3-5-12)9-19-16(21)14-10-6-7-11(8-10)15(14)17(19)22/h1-7,10-11,14-15H,8-9H2,(H,18,20).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenylacetamide is sourced from PubChem (CID 4737199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).