N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide

C23H22N2O3 — CID 2931769

IUPACN-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1
InChIInChI=1S/C23H22N2O3/c26-21(24-13-14-4-2-1-3-5-14)15-8-10-18(11-9-15)25-22(27)19-16-6-7-17(12-16)20(19)23(25)28/h1-5,8-11,16-17,19-20H,6-7,12-13H2,(H,24,26)
InChIKeyRVEDNPPRKUZUHA-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide

N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide (PubChem CID 2931769) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
PubChem CID2931769
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1
InChIInChI=1S/C23H22N2O3/c26-21(24-13-14-4-2-1-3-5-14)15-8-10-18(11-9-15)25-22(27)19-16-6-7-17(12-16)20(19)23(25)28/h1-5,8-11,16-17,19-20H,6-7,12-13H2,(H,24,26)
InChIKeyRVEDNPPRKUZUHA-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
CID 53276683
N-benzyl-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23314733
4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180377
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180379
4-[(3aR,5R,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 7405591
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819
N-(2,6-diethylphenyl)-4-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 11947116
4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 3446292
(1S,2S,6R,7R)-4-(4-phenylmethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11870124
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-fluorophenyl)benzamide
CID 23309059
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]benzamide
CID 98330332
N-benzyl-3-[(1R,2S,6R,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98330331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
The IUPAC name of N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide (CID 2931769) is N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
The canonical SMILES for N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide is O=C(NCc1ccccc1)c1ccc(N2C(=O)C3C4CCC(C4)C3C2=O)cc1.
What is the InChIKey of N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
The InChIKey is RVEDNPPRKUZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21(24-13-14-4-2-1-3-5-14)15-8-10-18(11-9-15)25-22(27)19-16-6-7-17(12-16)20(19)23(25)28/h1-5,8-11,16-17,19-20H,6-7,12-13H2,(H,24,26).
What are the key properties of N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide?
N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzamide is sourced from PubChem (CID 2931769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).