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

C28H26N2O4 — CID 17258812

IUPACN-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide
SMILESCC(=O)c1cccc(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccccc2C)c1
InChIInChI=1S/C28H26N2O4/c1-15-6-3-4-9-19(15)26(32)29(18-8-5-7-17(12-18)16(2)31)14-30-27(33)24-20-10-11-21(23-13-22(20)23)25(24)28(30)34/h3-12,20-25H,13-14H2,1-2H3
InChIKeySYXSGOMKTTUMQT-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.86
Rot. Bonds5

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

N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide (PubChem CID 17258812) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide
PubChem CID17258812
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC NameN-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide
SMILESCC(=O)c1cccc(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccccc2C)c1
InChIInChI=1S/C28H26N2O4/c1-15-6-3-4-9-19(15)26(32)29(18-8-5-7-17(12-18)16(2)31)14-30-27(33)24-20-10-11-21(23-13-22(20)23)25(24)28(30)34/h3-12,20-25H,13-14H2,1-2H3
InChIKeySYXSGOMKTTUMQT-UHFFFAOYSA-N
XLogP3.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

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
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-(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-(4-bromo-2,6-diethylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide
CID 19646604
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-[[(1R,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)-2-methylbenzamide
CID 98106628
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]-N-(2-methoxyphenyl)-2-methylbenzamide
CID 100807954
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
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,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(2-methylphenyl)acetamide
CID 124712425
N-(3-chlorophenyl)-N-[[(1R,2S,6S,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]acetamide
CID 100807518
N-(4-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-nitrobenzamide
CID 17259510

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 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) is N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide is CC(=O)c1cccc(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2ccccc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide?
The InChIKey is SYXSGOMKTTUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-15-6-3-4-9-19(15)26(32)29(18-8-5-7-17(12-18)16(2)31)14-30-27(33)24-20-10-11-21(23-13-22(20)23)25(24)28(30)34/h3-12,20-25H,13-14H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide?
N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide has a molecular weight of 454.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 17258812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).