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

C22H24N2O3 — CID 3393138

IUPACN-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1cccc(C)c1C
InChIInChI=1S/C22H24N2O3/c1-11-5-4-6-18(12(11)2)23(13(3)25)10-24-21(26)19-14-7-8-15(17-9-16(14)17)20(19)22(24)27/h4-8,14-17,19-20H,9-10H2,1-3H3
InChIKeyAYZQVILEIMQFPH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.67
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide (PubChem CID 3393138) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide
PubChem CID3393138
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1cccc(C)c1C
InChIInChI=1S/C22H24N2O3/c1-11-5-4-6-18(12(11)2)23(13(3)25)10-24-21(26)19-14-7-8-15(17-9-16(14)17)20(19)22(24)27/h4-8,14-17,19-20H,9-10H2,1-3H3
InChIKeyAYZQVILEIMQFPH-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.67
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide (CID 3393138) is N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide is CC(=O)N(CN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide?
The InChIKey is AYZQVILEIMQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-11-5-4-6-18(12(11)2)23(13(3)25)10-24-21(26)19-14-7-8-15(17-9-16(14)17)20(19)22(24)27/h4-8,14-17,19-20H,9-10H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide?
N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]acetamide is sourced from PubChem (CID 3393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).