2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide

C25H19N3O5 — CID 56507837

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H19N3O5/c29-19(12-27-24(32)20-13-8-9-14(10-13)21(20)25(27)33)26-15-4-3-5-16(11-15)28-22(30)17-6-1-2-7-18(17)23(28)31/h1-9,11,13-14,20-21H,10,12H2,(H,26,29)
InChIKeyMSWSZQVLUNZPCI-UHFFFAOYSA-N
MW441.44 g/mol
LogP2.23
Rot. Bonds4

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide (PubChem CID 56507837) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
PubChem CID56507837
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H19N3O5/c29-19(12-27-24(32)20-13-8-9-14(10-13)21(20)25(27)33)26-15-4-3-5-16(11-15)28-22(30)17-6-1-2-7-18(17)23(28)31/h1-9,11,13-14,20-21H,10,12H2,(H,26,29)
InChIKeyMSWSZQVLUNZPCI-UHFFFAOYSA-N
XLogP2.23
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(9-oxofluoren-2-yl)acetamide
CID 19133815
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-iodophenyl)acetamide
CID 98511447
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
N-(3-chlorophenyl)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23310387
N-(3-acetylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98193630
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-naphthalen-2-ylacetamide
CID 98378552
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98433212
methyl 3-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 124628761
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-nitrophenyl)acetamide
CID 98208528
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56508213
N-[3-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]acetamide
CID 6544821

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-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide (CID 56507837) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The InChIKey is MSWSZQVLUNZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c29-19(12-27-24(32)20-13-8-9-14(10-13)21(20)25(27)33)26-15-4-3-5-16(11-15)28-22(30)17-6-1-2-7-18(17)23(28)31/h1-9,11,13-14,20-21H,10,12H2,(H,26,29).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide has a molecular weight of 441.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 56507837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).