N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide

C23H20N2O3 — CID 124718769

IUPACN-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O
InChIInChI=1S/C23H20N2O3/c26-19(10-13-6-3-5-12-4-1-2-7-14(12)13)24-25-22(27)20-15-8-9-16(18-11-17(15)18)21(20)23(25)28/h1-9,15-18,20-21H,10-11H2,(H,24,26)/t15-,16-,17-,18-,20+,21+/m0/s1
InChIKeyDRWVSWJWKXPVCN-HRFMKDBOSA-N
MW372.42 g/mol
LogP2.47
Rot. Bonds3

About N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide

N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide (PubChem CID 124718769) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide
PubChem CID124718769
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O
InChIInChI=1S/C23H20N2O3/c26-19(10-13-6-3-5-12-4-1-2-7-14(12)13)24-25-22(27)20-15-8-9-16(18-11-17(15)18)21(20)23(25)28/h1-9,15-18,20-21H,10-11H2,(H,24,26)/t15-,16-,17-,18-,20+,21+/m0/s1
InChIKeyDRWVSWJWKXPVCN-HRFMKDBOSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.47
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-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide with MolForge

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Related Compounds

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-(naphthalen-1-ylmethyl)acetamide
CID 124764080
N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-pyridin-4-ylacetamide
CID 11438688
N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-2-hydroxybenzamide;hydrate
CID 142759667
N-benzyl-3-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98285428
N-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-phenylacetamide
CID 6543642
N-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)pyridine-2-carboxamide
CID 66677185
3-chloro-N-[(6R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 129016583
4-bromo-N-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98119767
N-[(2S)-1-[[(1S,2S,6R,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46934105
(2R)-N-benzyl-2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124718458
N-[(3aR,4R,7S,7aS)-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-phenylacetamide
CID 98203813
4-chloro-N-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 21174208

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide (CID 124718769) is N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O.
What is the InChIKey of N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is DRWVSWJWKXPVCN-HRFMKDBOSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-19(10-13-6-3-5-12-4-1-2-7-14(12)13)24-25-22(27)20-15-8-9-16(18-11-17(15)18)21(20)23(25)28/h1-9,15-18,20-21H,10-11H2,(H,24,26)/t15-,16-,17-,18-,20+,21+/m0/s1.
What are the key properties of N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide?
N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 372.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 124718769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).