N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide

C19H18N2O3 — CID 2885026

IUPACN-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1C(=O)C2C3C=CC(C4CC34)C2C1=O
InChIInChI=1S/C19H18N2O3/c22-15(8-10-4-2-1-3-5-10)20-21-18(23)16-11-6-7-12(14-9-13(11)14)17(16)19(21)24/h1-7,11-14,16-17H,8-9H2,(H,20,22)
InChIKeyMSJDEALLCYFPIJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.31
Rot. Bonds3

About N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide

N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide (PubChem CID 2885026) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide
PubChem CID2885026
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1C(=O)C2C3C=CC(C4CC34)C2C1=O
InChIInChI=1S/C19H18N2O3/c22-15(8-10-4-2-1-3-5-10)20-21-18(23)16-11-6-7-12(14-9-13(11)14)17(16)19(21)24/h1-7,11-14,16-17H,8-9H2,(H,20,22)
InChIKeyMSJDEALLCYFPIJ-UHFFFAOYSA-N
XLogP1.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.31
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'}

Analyze N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide?
The IUPAC name of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide (CID 2885026) is N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NN1C(=O)C2C3C=CC(C4CC34)C2C1=O.
What is the InChIKey of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide?
The InChIKey is MSJDEALLCYFPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-15(8-10-4-2-1-3-5-10)20-21-18(23)16-11-6-7-12(14-9-13(11)14)17(16)19(21)24/h1-7,11-14,16-17H,8-9H2,(H,20,22).
What are the key properties of N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide?
N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide has a molecular weight of 322.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-phenylacetamide is sourced from PubChem (CID 2885026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).