N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide

C18H18N2O4 — CID 4564609

IUPACN-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H18N2O4/c1-2-24-13-6-4-3-5-12(13)16(21)19-20-17(22)14-10-7-8-11(9-10)15(14)18(20)23/h3-8,10-11,14-15H,2,9H2,1H3,(H,19,21)
InChIKeyKMBNQASMEILRAN-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.54
Rot. Bonds4

About N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide

N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide (PubChem CID 4564609) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide
PubChem CID4564609
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H18N2O4/c1-2-24-13-6-4-3-5-12(13)16(21)19-20-17(22)14-10-7-8-11(9-10)15(14)18(20)23/h3-8,10-11,14-15H,2,9H2,1H3,(H,19,21)
InChIKeyKMBNQASMEILRAN-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-2-ethoxybenzamide
CID 5066019
2-chloro-N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 124714552
2-chloro-N-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7089014
2-ethoxy-N-[(1R,2R,6S,7R)-1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 6566475
2-ethoxy-N-[(1R,2R,6R,7R)-1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 99723267
N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide
CID 124775731
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 98613012
N-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methylbenzamide
CID 23306320
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
N-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methoxybenzamide
CID 98048902
3-bromo-N-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7322958
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98641122

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide?
The IUPAC name of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide (CID 4564609) is N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide?
The InChIKey is KMBNQASMEILRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-24-13-6-4-3-5-12(13)16(21)19-20-17(22)14-10-7-8-11(9-10)15(14)18(20)23/h3-8,10-11,14-15H,2,9H2,1H3,(H,19,21).
What are the key properties of N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide?
N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide has a molecular weight of 326.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-2-ethoxybenzamide is sourced from PubChem (CID 4564609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).