N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide

C20H20N2O3 — CID 16823178

IUPACN-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)COc4ccccc4)cc1c32
InChIInChI=1S/C20H20N2O3/c1-13-17-11-15(10-14-6-5-9-22(19(14)17)20(13)24)21-18(23)12-25-16-7-3-2-4-8-16/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,21,23)
InChIKeyXTDWHMQIZOMNLJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.10
Rot. Bonds4

About N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide

N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide (PubChem CID 16823178) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide
PubChem CID16823178
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)COc4ccccc4)cc1c32
InChIInChI=1S/C20H20N2O3/c1-13-17-11-15(10-14-6-5-9-22(19(14)17)20(13)24)21-18(23)12-25-16-7-3-2-4-8-16/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,21,23)
InChIKeyXTDWHMQIZOMNLJ-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide (CID 16823178) is N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide is CC1C(=O)N2CCCc3cc(NC(=O)COc4ccccc4)cc1c32.
What is the InChIKey of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide?
The InChIKey is XTDWHMQIZOMNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-17-11-15(10-14-6-5-9-22(19(14)17)20(13)24)21-18(23)12-25-16-7-3-2-4-8-16/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,21,23).
What are the key properties of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide?
N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-phenoxyacetamide is sourced from PubChem (CID 16823178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).