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

C20H20N2O3 — CID 16823173

IUPAC4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c4c(c2)C(C)C(=O)N4CCC3)cc1
InChIInChI=1S/C20H20N2O3/c1-12-17-11-15(10-14-4-3-9-22(18(14)17)20(12)24)21-19(23)13-5-7-16(25-2)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyBPLAMQPXYRBOMK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.34
Rot. Bonds3

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

4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (PubChem CID 16823173) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
PubChem CID16823173
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c4c(c2)C(C)C(=O)N4CCC3)cc1
InChIInChI=1S/C20H20N2O3/c1-12-17-11-15(10-14-4-3-9-22(18(14)17)20(12)24)21-19(23)13-5-7-16(25-2)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyBPLAMQPXYRBOMK-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (CID 16823173) is 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is COc1ccc(C(=O)Nc2cc3c4c(c2)C(C)C(=O)N4CCC3)cc1.
What is the InChIKey of 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The InChIKey is BPLAMQPXYRBOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-17-11-15(10-14-4-3-9-22(18(14)17)20(12)24)21-19(23)13-5-7-16(25-2)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is sourced from PubChem (CID 16823173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).