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

C26H24N2O3 — CID 3616949

IUPACN-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O3/c1-15-6-5-9-17(12-15)27(24(29)16-7-3-2-4-8-16)14-28-25(30)22-18-10-11-19(21-13-20(18)21)23(22)26(28)31/h2-12,18-23H,13-14H2,1H3
InChIKeyKVOJDABPDJXEKZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.65
Rot. Bonds4

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

N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 3616949) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide
PubChem CID3616949
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O3/c1-15-6-5-9-17(12-15)27(24(29)16-7-3-2-4-8-16)14-28-25(30)22-18-10-11-19(21-13-20(18)21)23(22)26(28)31/h2-12,18-23H,13-14H2,1H3
InChIKeyKVOJDABPDJXEKZ-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.65
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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Related Compounds

N-(3,5-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]benzamide
CID 3719137
N-[[(1R,2S,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-(3-methylphenyl)acetamide
CID 100808012
N-(3-chloro-4-methylphenyl)-N-[[(1R,2S,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]benzamide
CID 100807946
N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide
CID 17258812
N-(2,3-dimethylphenyl)-N-[[(1R,2S,6R,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]benzamide
CID 98320323
N-(3,5-dimethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-3-nitrobenzamide
CID 19646450
N-[[(1R,2R,6S,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-3-methoxy-N-(4-methylphenyl)benzamide
CID 100807917
N-[[(1R,2R,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-3-methoxy-N-(4-methylphenyl)benzamide
CID 100807918
N-[[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-phenylacetamide
CID 98106110
N-[[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(2-methoxyphenyl)benzamide
CID 98106222
4-bromo-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 19646477
2-chloro-N-[[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-phenylbenzamide
CID 98106563

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)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide (CID 3616949) is N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide is Cc1cccc(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is KVOJDABPDJXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-15-6-5-9-17(12-15)27(24(29)16-7-3-2-4-8-16)14-28-25(30)22-18-10-11-19(21-13-20(18)21)23(22)26(28)31/h2-12,18-23H,13-14H2,1H3.
What are the key properties of N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide?
N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 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)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 3616949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).