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

C16H20N2O2 — CID 18577989

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

N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide (PubChem CID 18577989) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 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)butanamide.

Molecular Properties

• Compound Name: N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
• PubChem CID: 18577989
• Molecular Formula: C16H20N2O2
• Molecular Weight: 272.35 g/mol
• Exact Mass: 272.15
• IUPAC Name: N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
• SMILES: CCCC(=O)Nc1cc2c3c(c1)C(C)C(=O)N3CCC2
• InChI: InChI=1S/C16H20N2O2/c1-3-5-14(19)17-12-8-11-6-4-7-18-15(11)13(9-12)10(2)16(18)20/h8-10H,3-7H2,1-2H3,(H,17,19)
• InChIKey: OFDYDEHPYUFCDC-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.35
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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)butanamide?

The IUPAC name of N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide (CID 18577989) is N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide.

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)butanamide?

The canonical SMILES for N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide is CCCC(=O)Nc1cc2c3c(c1)C(C)C(=O)N3CCC2.

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)butanamide?

The InChIKey is OFDYDEHPYUFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-14(19)17-12-8-11-6-4-7-18-15(11)13(9-12)10(2)16(18)20/h8-10H,3-7H2,1-2H3,(H,17,19).

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)butanamide?

N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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)butanamide is sourced from PubChem (CID 18577989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).