6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide

C24H28N2O4 — CID 19646170

IUPAC6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide
SMILESCOc1ccccc1NC(=O)CCCCCN1C(=O)C2C3C=CC(C4CC34)C2C1=O
InChIInChI=1S/C24H28N2O4/c1-30-19-8-5-4-7-18(19)25-20(27)9-3-2-6-12-26-23(28)21-14-10-11-15(17-13-16(14)17)22(21)24(26)29/h4-5,7-8,10-11,14-17,21-22H,2-3,6,9,12-13H2,1H3,(H,25,27)
InChIKeyUISWTHPACLWBRT-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.25
Rot. Bonds8

About 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide

6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide (PubChem CID 19646170) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide
PubChem CID19646170
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide
SMILESCOc1ccccc1NC(=O)CCCCCN1C(=O)C2C3C=CC(C4CC34)C2C1=O
InChIInChI=1S/C24H28N2O4/c1-30-19-8-5-4-7-18(19)25-20(27)9-3-2-6-12-26-23(28)21-14-10-11-15(17-13-16(14)17)22(21)24(26)29/h4-5,7-8,10-11,14-17,21-22H,2-3,6,9,12-13H2,1H3,(H,25,27)
InChIKeyUISWTHPACLWBRT-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)propanamide
CID 98330413
2-[(1R,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 50904210
2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 124718906
2-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 124718908
N-(5-chloro-2-methoxyphenyl)-3-[(1S,2R,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 23197985
N-(5-chloro-2-methoxyphenyl)-6-[(1R,2R,6R,7R,8R,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]hexanamide
CID 100807346
N-(2-chlorophenyl)-3-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124724001
N-(3-acetylphenyl)-6-[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]hexanamide
CID 124718005
N-(2,4-dimethoxyphenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetamide
CID 3850668
N-(2,4-dimethoxyphenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98159653
N-(3-chloro-2-methylphenyl)-3-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98279586
N-(3-chloro-2-methylphenyl)-3-[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124717147

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide?
The IUPAC name of 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide (CID 19646170) is 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide.
What is the SMILES notation for 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide?
The canonical SMILES for 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide is COc1ccccc1NC(=O)CCCCCN1C(=O)C2C3C=CC(C4CC34)C2C1=O.
What is the InChIKey of 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide?
The InChIKey is UISWTHPACLWBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-30-19-8-5-4-7-18(19)25-20(27)9-3-2-6-12-26-23(28)21-14-10-11-15(17-13-16(14)17)22(21)24(26)29/h4-5,7-8,10-11,14-17,21-22H,2-3,6,9,12-13H2,1H3,(H,25,27).
What are the key properties of 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide?
6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide has a molecular weight of 408.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxyphenyl)hexanamide is sourced from PubChem (CID 19646170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).