3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide

C24H24N2O3 — CID 2925341

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1
InChIInChI=1S/C24H24N2O3/c1-2-14-6-3-4-9-19(14)25-22(27)17-7-5-8-18(13-17)26-23(28)20-15-10-11-16(12-15)21(20)24(26)29/h3-9,13,15-16,20-21H,2,10-12H2,1H3,(H,25,27)
InChIKeyAMSIGJMDGCFGHK-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.04
Rot. Bonds4

About 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide (PubChem CID 2925341) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide
PubChem CID2925341
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1
InChIInChI=1S/C24H24N2O3/c1-2-14-6-3-4-9-19(14)25-22(27)17-7-5-8-18(13-17)26-23(28)20-15-10-11-16(12-15)21(20)24(26)29/h3-9,13,15-16,20-21H,2,10-12H2,1H3,(H,25,27)
InChIKeyAMSIGJMDGCFGHK-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.04
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

(3aR,4S,7R,7aS)-2-(4-((E)-3-(m-tolyl)acryloyl)phenyl)-3a,4,7,7atetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7d)
CID 126842605
(3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phenyl)-3a,4,7,7atetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7e)
CID 126842606
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
CID 3776698
2-(naphthalen-2-yl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 3118003
2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione
CID 1235479
N-(3,4-dimethylphenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamide
CID 3373501
3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(3-methylphenyl)benzamide
CID 3805821
N-(2,3-dimethylphenyl)-4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide
CID 4440481
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2925597
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide
CID 56924733
N-(2-acetylphenyl)-4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 56950157
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide
CID 57395749

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide (CID 2925341) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4CCC(C4)C3C2=O)c1.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide?
The InChIKey is AMSIGJMDGCFGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-14-6-3-4-9-19(14)25-22(27)17-7-5-8-18(13-17)26-23(28)20-15-10-11-16(12-15)21(20)24(26)29/h3-9,13,15-16,20-21H,2,10-12H2,1H3,(H,25,27).
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 2925341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).