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

C19H20N2O4 — CID 56807275

IUPAC2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NN2C(=O)C3C4C=CC(C4)C3C2=O)cc1C
InChIInChI=1S/C19H20N2O4/c1-10-3-6-14(7-11(10)2)25-9-15(22)20-21-18(23)16-12-4-5-13(8-12)17(16)19(21)24/h3-7,12-13,16-17H,8-9H2,1-2H3,(H,20,22)
InChIKeyACVVNKAIKGVJEY-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.52
Rot. Bonds4

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

2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide (PubChem CID 56807275) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
PubChem CID56807275
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NN2C(=O)C3C4C=CC(C4)C3C2=O)cc1C
InChIInChI=1S/C19H20N2O4/c1-10-3-6-14(7-11(10)2)25-9-15(22)20-21-18(23)16-12-4-5-13(8-12)17(16)19(21)24/h3-7,12-13,16-17H,8-9H2,1-2H3,(H,20,22)
InChIKeyACVVNKAIKGVJEY-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.52
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'}

Analyze 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 23306743
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595
N-[(3aR,4R,7R,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(3-methylphenoxy)acetamide
CID 98221866
(1R,2S,6S,7S)-4-[4-(3,4-dimethylphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6554471
2-(3,4-dimethylphenoxy)-N-[[(2R)-oxiran-2-yl]methyl]acetamide
CID 97180614
N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
CID 78771822
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
N-[(1S,2R,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 98290754
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide
CID 146131599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide (CID 56807275) is 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide is Cc1ccc(OCC(=O)NN2C(=O)C3C4C=CC(C4)C3C2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The InChIKey is ACVVNKAIKGVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-10-3-6-14(7-11(10)2)25-9-15(22)20-21-18(23)16-12-4-5-13(8-12)17(16)19(21)24/h3-7,12-13,16-17H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide is sourced from PubChem (CID 56807275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).