N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

C19H18N2O2 — CID 110384044

About N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (PubChem CID 110384044) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
• PubChem CID: 110384044
• Molecular Formula: C19H18N2O2
• Molecular Weight: 306.37 g/mol
• Exact Mass: 306.14
• IUPAC Name: N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1
• InChI: InChI=1S/C19H18N2O2/c1-12-2-5-16(6-3-12)20-19(23)15-10-13-4-7-17(22)21-9-8-14(11-15)18(13)21/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,23)
• InChIKey: OPVIRVZJJODPGF-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.37
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?

The IUPAC name of N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (CID 110384044) is N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.

What is the SMILES notation for N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?

The canonical SMILES for N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is Cc1ccc(NC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1.

What is the InChIKey of N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?

The InChIKey is OPVIRVZJJODPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-2-5-16(6-3-12)20-19(23)15-10-13-4-7-17(22)21-9-8-14(11-15)18(13)21/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,23).

What are the key properties of N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?

N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is sourced from PubChem (CID 110384044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).