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

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

N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide (PubChem CID 51468135) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide.

Molecular Properties

Compound Name	N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
PubChem CID	51468135
Molecular Formula	C22H23N3O4
Molecular Weight	393.44 g/mol
Exact Mass	393.17
IUPAC Name	N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
SMILES	COc1ccccc1CNC(=O)C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2
InChI	InChI=1S/C22H23N3O4/c1-13-17-11-16(10-14-7-5-9-25(19(14)17)22(13)28)24-21(27)20(26)23-12-15-6-3-4-8-18(15)29-2/h3-4,6,8,10-11,13H,5,7,9,12H2,1-2H3,(H,23,26)(H,24,27)/t13-/m1/s1
InChIKey	FMAOTDAIRZIYDN-CYBMUJFWSA-N
XLogP	2.35
TPSA	87.74 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide (CID 51468135) is N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide is COc1ccccc1CNC(=O)C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?

The InChIKey is FMAOTDAIRZIYDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-17-11-16(10-14-7-5-9-25(19(14)17)22(13)28)24-21(27)20(26)23-12-15-6-3-4-8-18(15)29-2/h3-4,6,8,10-11,13H,5,7,9,12H2,1-2H3,(H,23,26)(H,24,27)/t13-/m1/s1.

What are the key properties of N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide?

N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide has a molecular weight of 393.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide is sourced from PubChem (CID 51468135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).