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

C19H20N2O3 — CID 3713210

IUPACN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C19H20N2O3/c1-20(10-12-5-3-2-4-6-12)15(22)11-21-18(23)16-13-7-8-14(9-13)17(16)19(21)24/h2-8,13-14,16-17H,9-11H2,1H3
InChIKeyDWYPJIKTXWWTQT-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.45
Rot. Bonds4

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

N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide (PubChem CID 3713210) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
PubChem CID3713210
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C19H20N2O3/c1-20(10-12-5-3-2-4-6-12)15(22)11-21-18(23)16-13-7-8-14(9-13)17(16)19(21)24/h2-8,13-14,16-17H,9-11H2,1H3
InChIKeyDWYPJIKTXWWTQT-UHFFFAOYSA-N
XLogP1.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4'-(2-Phenylethyl)-4'-azaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0~2,6~]decane]-8'-ene-3',5'-dione
CID 2856677
4-Benzyl-10-(diphenylmethylene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2871449
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2924797
2-[1-Oxo-3-phenyl-1-(1-piperidinyl)-2-propanyl]-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2925123
N-benzyl-2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
CID 2925838
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2950407
4-Benzyl-10-cyclohexylidene-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2962986
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 3239481
2-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3240992
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylacetamide
CID 3242710
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)propanamide
CID 3243722
2-benzylhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 4523585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide (CID 3713210) is N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
The InChIKey is DWYPJIKTXWWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20(10-12-5-3-2-4-6-12)15(22)11-21-18(23)16-13-7-8-14(9-13)17(16)19(21)24/h2-8,13-14,16-17H,9-11H2,1H3.
What are the key properties of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide has a molecular weight of 324.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide is sourced from PubChem (CID 3713210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).